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

C21H22ClN5 — CID 59346467

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(N(C)Cc4ccc(Cl)cc4)c3C2)nc1
InChIInChI=1S/C21H22ClN5/c1-15-3-8-20(23-11-15)27-10-9-19-18(13-27)21(25-14-24-19)26(2)12-16-4-6-17(22)7-5-16/h3-8,11,14H,9-10,12-13H2,1-2H3
InChIKeyKPEQNACGNIIZRX-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.03
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 59346467) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID59346467
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(N(C)Cc4ccc(Cl)cc4)c3C2)nc1
InChIInChI=1S/C21H22ClN5/c1-15-3-8-20(23-11-15)27-10-9-19-18(13-27)21(25-14-24-19)26(2)12-16-4-6-17(22)7-5-16/h3-8,11,14H,9-10,12-13H2,1-2H3
InChIKeyKPEQNACGNIIZRX-UHFFFAOYSA-N
XLogP4.03
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 59346467) is N-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(N(C)Cc4ccc(Cl)cc4)c3C2)nc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is KPEQNACGNIIZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-15-3-8-20(23-11-15)27-10-9-19-18(13-27)21(25-14-24-19)26(2)12-16-4-6-17(22)7-5-16/h3-8,11,14H,9-10,12-13H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-N-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 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59346467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).