6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine

C32H36FN5O3 — CID 66600059

IUPAC6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc(CCN4CCOCC4)cnc3F)nc(C)n2)cc1
InChIInChI=1S/C32H36FN5O3/c1-23-35-30(29-18-26(20-34-32(29)33)12-13-37-14-16-41-17-15-37)19-31(36-23)38(21-24-4-8-27(39-2)9-5-24)22-25-6-10-28(40-3)11-7-25/h4-11,18-20H,12-17,21-22H2,1-3H3
InChIKeyYGUDWCLGOHUSHB-UHFFFAOYSA-N
MW557.67 g/mol
LogP5.08
Rot. Bonds11

About 6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine

6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 66600059) has the molecular formula C32H36FN5O3 and a molecular weight of 557.67 g/mol. Its IUPAC name is 6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID66600059
Molecular FormulaC32H36FN5O3
Molecular Weight557.67 g/mol
Exact Mass557.28
IUPAC Name6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc(CCN4CCOCC4)cnc3F)nc(C)n2)cc1
InChIInChI=1S/C32H36FN5O3/c1-23-35-30(29-18-26(20-34-32(29)33)12-13-37-14-16-41-17-15-37)19-31(36-23)38(21-24-4-8-27(39-2)9-5-24)22-25-6-10-28(40-3)11-7-25/h4-11,18-20H,12-17,21-22H2,1-3H3
InChIKeyYGUDWCLGOHUSHB-UHFFFAOYSA-N
XLogP5.08
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.67
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Inixaciclib
CID 139390026
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
N2-(3,5-dimorpholinophenyl)-N4-(5-methoxy-2-methylphenyl)-N4-methylpyrimidine-2,4-diamine
CID 25015107
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
7-(4-Methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 2817025
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
4-(4-Methoxyphenyl)-6-(4-methylpiperazino)-2-(2-pyridinyl)-5-pyrimidinecarbonitrile
CID 3379226
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 2999577
4-(2-Methoxy-5-methylanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133128
4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methoxy-benzyloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-pyrimidin-2-ylamine
CID 10225532
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 11502665

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine (CID 66600059) is 6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc(CCN4CCOCC4)cnc3F)nc(C)n2)cc1.
What is the InChIKey of 6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is YGUDWCLGOHUSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN5O3/c1-23-35-30(29-18-26(20-34-32(29)33)12-13-37-14-16-41-17-15-37)19-31(36-23)38(21-24-4-8-27(39-2)9-5-24)22-25-6-10-28(40-3)11-7-25/h4-11,18-20H,12-17,21-22H2,1-3H3.
What are the key properties of 6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine?
6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 557.67 g/mol, XLogP of 5.08, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66600059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).