6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine

C45H53FN14O4 — CID 91193866

IUPAC6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCOc1ncc(Nc2ncc(C(C)N3CCOC(COc4ncc(Nc5ncc(C(C)N6CCOCC6)cc5-c5cc(N)nc(C)n5)cc4F)C3)cc2-c2cc(N)nc(C)n2)cc1C
InChIInChI=1S/C45H53FN14O4/c1-25-13-32(21-51-44(25)61-6)57-42-36(39-18-41(48)56-29(5)54-39)15-31(20-50-42)27(3)60-9-12-63-34(23-60)24-64-45-37(46)16-33(22-52-45)58-43-35(38-17-40(47)55-28(4)53-38)14-30(19-49-43)26(2)59-7-10-62-11-8-59/h13-22,26-27,34H,7-12,23-24H2,1-6H3,(H,49,58)(H,50,57)(H2,47,53,55)(H2,48,54,56)
InChIKeyHRWFQRXEPDGQPN-UHFFFAOYSA-N
MW873.01 g/mol
LogP6.14
Rot. Bonds14

About 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine

6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine (PubChem CID 91193866) has the molecular formula C45H53FN14O4 and a molecular weight of 873.01 g/mol. Its IUPAC name is 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine
PubChem CID91193866
Molecular FormulaC45H53FN14O4
Molecular Weight873.01 g/mol
Exact Mass872.44
IUPAC Name6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCOc1ncc(Nc2ncc(C(C)N3CCOC(COc4ncc(Nc5ncc(C(C)N6CCOCC6)cc5-c5cc(N)nc(C)n5)cc4F)C3)cc2-c2cc(N)nc(C)n2)cc1C
InChIInChI=1S/C45H53FN14O4/c1-25-13-32(21-51-44(25)61-6)57-42-36(39-18-41(48)56-29(5)54-39)15-31(20-50-42)27(3)60-9-12-63-34(23-60)24-64-45-37(46)16-33(22-52-45)58-43-35(38-17-40(47)55-28(4)53-38)14-30(19-49-43)26(2)59-7-10-62-11-8-59/h13-22,26-27,34H,7-12,23-24H2,1-6H3,(H,49,58)(H,50,57)(H2,47,53,55)(H2,48,54,56)
InChIKeyHRWFQRXEPDGQPN-UHFFFAOYSA-N
XLogP6.14
TPSA222.62 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.01
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(2-(6-Methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 49785083
5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53322731
N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CID 53322732
5-(6-(6-(1-Methylpiperidin-4-yloxy)pyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53324329
5-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-N-(6-methoxypyridin-3-YL)-6'-methyl-3,3'-bipyridin-6-amine
CID 59548274
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197393
US20240025922, Example 113
CID 170324608
US20240025922, Example 55
CID 170324717
6-(2-((5-fluoro-6-methoxy-3-pyridinyl)amino)-5-((1R)-1-((2S)-2-methyl-4-(methylsulfonyl)-1-piperazinyl)ethyl)-3-pyridinyl)-2-methyl-4-pyrimidinamine
CID 59548336
6-fluoro-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
CID 163290983
6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazoline-2,5-diamine
CID 164514723
6-fluoro-2-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514727

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine (CID 91193866) is 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine is COc1ncc(Nc2ncc(C(C)N3CCOC(COc4ncc(Nc5ncc(C(C)N6CCOCC6)cc5-c5cc(N)nc(C)n5)cc4F)C3)cc2-c2cc(N)nc(C)n2)cc1C.
What is the InChIKey of 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine?
The InChIKey is HRWFQRXEPDGQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H53FN14O4/c1-25-13-32(21-51-44(25)61-6)57-42-36(39-18-41(48)56-29(5)54-39)15-31(20-50-42)27(3)60-9-12-63-34(23-60)24-64-45-37(46)16-33(22-52-45)58-43-35(38-17-40(47)55-28(4)53-38)14-30(19-49-43)26(2)59-7-10-62-11-8-59/h13-22,26-27,34H,7-12,23-24H2,1-6H3,(H,49,58)(H,50,57)(H2,47,53,55)(H2,48,54,56).
What are the key properties of 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine?
6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine has a molecular weight of 873.01 g/mol, XLogP of 6.14, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[6-[[4-[1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 91193866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).