2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine

C18H16F2N8 — CID 70900712

IUPAC2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cc1F
InChIInChI=1S/C18H16F2N8/c1-10(15-13(20)6-11(19)7-22-15)24-18-26-16-12(4-3-5-21-16)17(27-18)25-14-8-28(2)9-23-14/h3-10H,1-2H3,(H2,21,24,25,26,27)
InChIKeyJSKQUZVXCDQFKS-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.35
Rot. Bonds5

About 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine

2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 70900712) has the molecular formula C18H16F2N8 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID70900712
Molecular FormulaC18H16F2N8
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cc1F
InChIInChI=1S/C18H16F2N8/c1-10(15-13(20)6-11(19)7-22-15)24-18-26-16-12(4-3-5-21-16)17(27-18)25-14-8-28(2)9-23-14/h3-10H,1-2H3,(H2,21,24,25,26,27)
InChIKeyJSKQUZVXCDQFKS-UHFFFAOYSA-N
XLogP3.35
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 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) is 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine is CC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cc1F.
What is the InChIKey of 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JSKQUZVXCDQFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N8/c1-10(15-13(20)6-11(19)7-22-15)24-18-26-16-12(4-3-5-21-16)17(27-18)25-14-8-28(2)9-23-14/h3-10H,1-2H3,(H2,21,24,25,26,27).
What are the key properties of 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 382.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 70900712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).