6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine

C18H18FN7O — CID 59507630

IUPAC6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESNc1ccc(-c2cc(Nc3ccncc3F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H18FN7O/c19-13-11-21-4-3-14(13)23-17-9-15(12-1-2-16(20)22-10-12)24-18(25-17)26-5-7-27-8-6-26/h1-4,9-11H,5-8H2,(H2,20,22)(H,21,23,24,25)
InChIKeyYCWQSBHXGCPXCA-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.24
Rot. Bonds4

About 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine

6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 59507630) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID59507630
Molecular FormulaC18H18FN7O
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESNc1ccc(-c2cc(Nc3ccncc3F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H18FN7O/c19-13-11-21-4-3-14(13)23-17-9-15(12-1-2-16(20)22-10-12)24-18(25-17)26-5-7-27-8-6-26/h1-4,9-11H,5-8H2,(H2,20,22)(H,21,23,24,25)
InChIKeyYCWQSBHXGCPXCA-UHFFFAOYSA-N
XLogP2.24
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507868
2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane
CID 145100338
2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol
CID 71177798
6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 42613649
N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507749
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
5-[2-morpholin-4-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]pyridin-2-amine
CID 59507463
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485
5-(2-morpholin-4-ylpyrimidin-5-yl)pyridin-2-amine
CID 122622421
6-(5,6-dimethoxy-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 126678421

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine (CID 59507630) is 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine is Nc1ccc(-c2cc(Nc3ccncc3F)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is YCWQSBHXGCPXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O/c19-13-11-21-4-3-14(13)23-17-9-15(12-1-2-16(20)22-10-12)24-18(25-17)26-5-7-27-8-6-26/h1-4,9-11H,5-8H2,(H2,20,22)(H,21,23,24,25).
What are the key properties of 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine?
6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 367.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 59507630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).