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

C20H19Cl2N5 — CID 25033493

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2N5/c1-13(14-2-4-15(21)5-3-14)26-20-17-11-27(9-8-18(17)24-12-25-20)19-7-6-16(22)10-23-19/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,25,26)/t13-/m1/s1
InChIKeyCJYBSPSAYUVDMV-CYBMUJFWSA-N
MW400.31 g/mol
LogP4.91
Rot. Bonds4

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

N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033493) has the molecular formula C20H19Cl2N5 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033493
Molecular FormulaC20H19Cl2N5
Molecular Weight400.31 g/mol
Exact Mass399.10
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2N5/c1-13(14-2-4-15(21)5-3-14)26-20-17-11-27(9-8-18(17)24-12-25-20)19-7-6-16(22)10-23-19/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,25,26)/t13-/m1/s1
InChIKeyCJYBSPSAYUVDMV-CYBMUJFWSA-N
XLogP4.91
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Falnidamol
CID 6918508
SD-208
CID 10316032
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
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
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033493) is N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is CJYBSPSAYUVDMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19Cl2N5/c1-13(14-2-4-15(21)5-3-14)26-20-17-11-27(9-8-18(17)24-12-25-20)19-7-6-16(22)10-23-19/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,25,26)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 400.31 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).