2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

C20H16FN5O — CID 20826934

IUPAC2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1F
InChIInChI=1S/C20H16FN5O/c1-27-18-7-6-14(11-16(18)21)25-20-22-9-8-19(26-20)24-15-10-13-4-2-3-5-17(13)23-12-15/h2-12H,1H3,(H2,22,24,25,26)
InChIKeyYOIJLNOVVLOJDA-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.66
Rot. Bonds5

About 2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (PubChem CID 20826934) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
PubChem CID20826934
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1F
InChIInChI=1S/C20H16FN5O/c1-27-18-7-6-14(11-16(18)21)25-20-22-9-8-19(26-20)24-15-10-13-4-2-3-5-17(13)23-12-15/h2-12H,1H3,(H2,22,24,25,26)
InChIKeyYOIJLNOVVLOJDA-UHFFFAOYSA-N
XLogP4.66
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
2-N-(5,6-dimethoxy-3-pyridinyl)-4-N-(7-fluoro-1,5-naphthyridin-3-yl)pyrimidine-2,4-diamine
CID 176696480
2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 86210861
4-N-quinolin-3-yl-2-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine
CID 20826946
N,N-dimethylcyclohexanamine;2-methoxy-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenol;molecular hydrogen
CID 176696828
2-N-(4-nitrophenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826973
2-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826921
2-N-(4-methoxy-2-nitrophenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826968
2-N-[3-[2-(dimethylamino)ethoxy]-4-morpholin-4-ylphenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine;2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 176696808
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904327
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
N,N-dimethylcyclobutanamine;molecular hydrogen;4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenol
CID 176696423

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (CID 20826934) is 2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1F.
What is the InChIKey of 2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The InChIKey is YOIJLNOVVLOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-27-18-7-6-14(11-16(18)21)25-20-22-9-8-19(26-20)24-15-10-13-4-2-3-5-17(13)23-12-15/h2-12H,1H3,(H2,22,24,25,26).
What are the key properties of 2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine has a molecular weight of 361.38 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 20826934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).