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

C20H19Cl2N5 — CID 69010860

IUPACN-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESClc1ccc(CCNc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cc1
InChIInChI=1S/C20H19Cl2N5/c21-15-3-1-14(2-4-15)7-9-23-20-17-12-27(10-8-18(17)25-13-26-20)19-6-5-16(22)11-24-19/h1-6,11,13H,7-10,12H2,(H,23,25,26)
InChIKeyQRCRFMUWGDPQEG-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.40
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 69010860) has the molecular formula C20H19Cl2N5 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID69010860
Molecular FormulaC20H19Cl2N5
Molecular Weight400.31 g/mol
Exact Mass399.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESClc1ccc(CCNc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cc1
InChIInChI=1S/C20H19Cl2N5/c21-15-3-1-14(2-4-15)7-9-23-20-17-12-27(10-8-18(17)25-13-26-20)19-6-5-16(22)11-24-19/h1-6,11,13H,7-10,12H2,(H,23,25,26)
InChIKeyQRCRFMUWGDPQEG-UHFFFAOYSA-N
XLogP4.40
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 69010860) is N-[2-(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-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Clc1ccc(CCNc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is QRCRFMUWGDPQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5/c21-15-3-1-14(2-4-15)7-9-23-20-17-12-27(10-8-18(17)25-13-26-20)19-6-5-16(22)11-24-19/h1-6,11,13H,7-10,12H2,(H,23,25,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[2-(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 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69010860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).