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

C21H22ClN5 — CID 25033177

IUPACN-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NC(C)c4cccc(Cl)c4)c3C2)nc1
InChIInChI=1S/C21H22ClN5/c1-14-6-7-20(23-11-14)27-9-8-19-18(12-27)21(25-13-24-19)26-15(2)16-4-3-5-17(22)10-16/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,24,25,26)
InChIKeyIUPSCNROFMBCEW-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.57
Rot. Bonds4

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

N-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033177) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033177
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NC(C)c4cccc(Cl)c4)c3C2)nc1
InChIInChI=1S/C21H22ClN5/c1-14-6-7-20(23-11-14)27-9-8-19-18(12-27)21(25-13-24-19)26-15(2)16-4-3-5-17(22)10-16/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,24,25,26)
InChIKeyIUPSCNROFMBCEW-UHFFFAOYSA-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

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

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Related Compounds

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CID 6918508
Cgp-60474
CID 644215
SD-208
CID 10316032
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
Sri-9439
CID 446752
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
Bms-279700
CID 9844320
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
Ezurpimtrostat
CID 121305180

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033177) is N-[1-(3-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-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(NC(C)c4cccc(Cl)c4)c3C2)nc1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is IUPSCNROFMBCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-14-6-7-20(23-11-14)27-9-8-19-18(12-27)21(25-13-24-19)26-15(2)16-4-3-5-17(22)10-16/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,24,25,26).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[1-(3-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-[1-(3-chlorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).