2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine

C15H16FN7OS — CID 25102938

IUPAC2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1
InChIInChI=1S/C15H16FN7OS/c1-8-5-19-15(25-8)22-11-4-12(24-3)23-14(21-11)20-9(2)13-17-6-10(16)7-18-13/h4-7,9H,1-3H3,(H2,19,20,21,22,23)/t9-/m0/s1
InChIKeyWGKSOSILOJKGAV-VIFPVBQESA-N
MW361.41 g/mol
LogP3.10
Rot. Bonds6

About 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine

2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine (PubChem CID 25102938) has the molecular formula C15H16FN7OS and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
PubChem CID25102938
Molecular FormulaC15H16FN7OS
Molecular Weight361.41 g/mol
Exact Mass361.11
IUPAC Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1
InChIInChI=1S/C15H16FN7OS/c1-8-5-19-15(25-8)22-11-4-12(24-3)23-14(21-11)20-9(2)13-17-6-10(16)7-18-13/h4-7,9H,1-3H3,(H2,19,20,21,22,23)/t9-/m0/s1
InChIKeyWGKSOSILOJKGAV-VIFPVBQESA-N
XLogP3.10
TPSA97.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[6-chloro-2-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 86644131
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1,3-thiazol-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 75048165
5-fluoro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1,3-thiazol-2-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 25052652
5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 175660589
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355042
N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659435
2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 71031737
4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 112691799
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methoxy-4-N-(1-methylimidazol-4-yl)quinazoline-2,4-diamine
CID 45275469
5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 67331638
2-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methoxy-4-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
CID 46175459
6-(benzhydrylideneamino)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
CID 91031059

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine (CID 25102938) is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine is COc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine?
The InChIKey is WGKSOSILOJKGAV-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16FN7OS/c1-8-5-19-15(25-8)22-11-4-12(24-3)23-14(21-11)20-9(2)13-17-6-10(16)7-18-13/h4-7,9H,1-3H3,(H2,19,20,21,22,23)/t9-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine?
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine has a molecular weight of 361.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25102938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).