N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine

C18H17FN8 — CID 58398884

IUPACN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine
SMILESC[C@H](Nc1nc(Cc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1
InChIInChI=1S/C18H17FN8/c1-11(16-21-7-12(19)8-22-16)24-18-25-15(6-13-9-27(2)10-23-13)14-4-3-5-20-17(14)26-18/h3-5,7-11H,6H2,1-2H3,(H,20,24,25,26)/t11-/m0/s1
InChIKeyXSGIBJJJDXTIAQ-NSHDSACASA-N
MW364.39 g/mol
LogP2.45
Rot. Bonds5

About N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine

N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 58398884) has the molecular formula C18H17FN8 and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine
PubChem CID58398884
Molecular FormulaC18H17FN8
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine
SMILESC[C@H](Nc1nc(Cc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1
InChIInChI=1S/C18H17FN8/c1-11(16-21-7-12(19)8-22-16)24-18-25-15(6-13-9-27(2)10-23-13)14-4-3-5-20-17(14)26-18/h3-5,7-11H,6H2,1-2H3,(H,20,24,25,26)/t11-/m0/s1
InChIKeyXSGIBJJJDXTIAQ-NSHDSACASA-N
XLogP2.45
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methyl-4-[(1-methylimidazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 58398880
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CID 58398865
4-(benzhydrylideneamino)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-[(1-methylimidazol-4-yl)methyl]pyrimidin-2-amine
CID 58398914
2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 70900712
7-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 45275680
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
CID 46175461
4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 58367411
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methoxy-4-N-(1-methylimidazol-4-yl)quinazoline-2,4-diamine
CID 45275469
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 67300476
2-[6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-4-[(1-methylimidazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 45275365
6-(benzhydrylideneamino)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
CID 91031059
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 70900693

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine (CID 58398884) is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine is C[C@H](Nc1nc(Cc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1.
What is the InChIKey of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is XSGIBJJJDXTIAQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H17FN8/c1-11(16-21-7-12(19)8-22-16)24-18-25-15(6-13-9-27(2)10-23-13)14-4-3-5-20-17(14)26-18/h3-5,7-11H,6H2,1-2H3,(H,20,24,25,26)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine?
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 364.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 58398884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).