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

C21H22ClN5 — CID 25033014

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(Cl)cc4)c3C2)nc1
InChIInChI=1S/C21H22ClN5/c1-14-3-8-20(23-11-14)27-10-9-19-18(12-27)21(25-13-24-19)26-15(2)16-4-6-17(22)7-5-16/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)/t15-/m0/s1
InChIKeyNAJWMPSVESSMGN-HNNXBMFYSA-N
MW379.90 g/mol
LogP4.57
Rot. Bonds4

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

N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033014) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033014
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(Cl)cc4)c3C2)nc1
InChIInChI=1S/C21H22ClN5/c1-14-3-8-20(23-11-14)27-10-9-19-18(12-27)21(25-13-24-19)26-15(2)16-4-6-17(22)7-5-16/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)/t15-/m0/s1
InChIKeyNAJWMPSVESSMGN-HNNXBMFYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033014) is N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(Cl)cc4)c3C2)nc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is NAJWMPSVESSMGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-14-3-8-20(23-11-14)27-10-9-19-18(12-27)21(25-13-24-19)26-15(2)16-4-6-17(22)7-5-16/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-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 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).