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

C21H22ClN5 — CID 59346485

IUPACN-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCc4cc(Cl)ccc4C)c3C2)nc1
InChIInChI=1S/C21H22ClN5/c1-14-3-6-20(23-10-14)27-8-7-19-18(12-27)21(26-13-25-19)24-11-16-9-17(22)5-4-15(16)2/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,24,25,26)
InChIKeyBYKGGYGLRMAOSP-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.32
Rot. Bonds4

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

N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 59346485) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID59346485
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC NameN-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCc4cc(Cl)ccc4C)c3C2)nc1
InChIInChI=1S/C21H22ClN5/c1-14-3-6-20(23-10-14)27-8-7-19-18(12-27)21(26-13-25-19)24-11-16-9-17(22)5-4-15(16)2/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,24,25,26)
InChIKeyBYKGGYGLRMAOSP-UHFFFAOYSA-N
XLogP4.32
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 59346485) is N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(NCc4cc(Cl)ccc4C)c3C2)nc1.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is BYKGGYGLRMAOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-14-3-6-20(23-10-14)27-8-7-19-18(12-27)21(26-13-25-19)24-11-16-9-17(22)5-4-15(16)2/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,24,25,26).
What are the key properties of N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 379.90 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylphenyl)methyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59346485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).