N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C21H21F2N5 — CID 25033178

IUPACN-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NC(C)c4cc(F)cc(F)c4)c3C2)nc1
InChIInChI=1S/C21H21F2N5/c1-13-3-4-20(24-10-13)28-6-5-19-18(11-28)21(26-12-25-19)27-14(2)15-7-16(22)9-17(23)8-15/h3-4,7-10,12,14H,5-6,11H2,1-2H3,(H,25,26,27)
InChIKeySTMMULZVHSKPDR-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.19
Rot. Bonds4

About N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033178) has the molecular formula C21H21F2N5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033178
Molecular FormulaC21H21F2N5
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NC(C)c4cc(F)cc(F)c4)c3C2)nc1
InChIInChI=1S/C21H21F2N5/c1-13-3-4-20(24-10-13)28-6-5-19-18(11-28)21(26-12-25-19)27-14(2)15-7-16(22)9-17(23)8-15/h3-4,7-10,12,14H,5-6,11H2,1-2H3,(H,25,26,27)
InChIKeySTMMULZVHSKPDR-UHFFFAOYSA-N
XLogP4.19
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033178) is N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(NC(C)c4cc(F)cc(F)c4)c3C2)nc1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is STMMULZVHSKPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5/c1-13-3-4-20(24-10-13)28-6-5-19-18(11-28)21(26-12-25-19)27-14(2)15-7-16(22)9-17(23)8-15/h3-4,7-10,12,14H,5-6,11H2,1-2H3,(H,25,26,27).
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 381.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).