N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine

C20H17Cl2N5 — CID 150378730

IUPACN-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNCc1cccc(Nc2ncc3c(n2)C=CN(c2c(Cl)cccc2Cl)C3)c1
InChIInChI=1S/C20H17Cl2N5/c21-16-5-2-6-17(22)19(16)27-8-7-18-14(12-27)11-24-20(26-18)25-15-4-1-3-13(9-15)10-23/h1-9,11H,10,12,23H2,(H,24,25,26)
InChIKeyGZGKVUKWVKPHPE-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.98
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine

N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 150378730) has the molecular formula C20H17Cl2N5 and a molecular weight of 398.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID150378730
Molecular FormulaC20H17Cl2N5
Molecular Weight398.30 g/mol
Exact Mass397.09
IUPAC NameN-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNCc1cccc(Nc2ncc3c(n2)C=CN(c2c(Cl)cccc2Cl)C3)c1
InChIInChI=1S/C20H17Cl2N5/c21-16-5-2-6-17(22)19(16)27-8-7-18-14(12-27)11-24-20(26-18)25-15-4-1-3-13(9-15)10-23/h1-9,11H,10,12,23H2,(H,24,25,26)
InChIKeyGZGKVUKWVKPHPE-UHFFFAOYSA-N
XLogP4.98
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 150378730) is N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine is NCc1cccc(Nc2ncc3c(n2)C=CN(c2c(Cl)cccc2Cl)C3)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is GZGKVUKWVKPHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5/c21-16-5-2-6-17(22)19(16)27-8-7-18-14(12-27)11-24-20(26-18)25-15-4-1-3-13(9-15)10-23/h1-9,11H,10,12,23H2,(H,24,25,26).
What are the key properties of N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 398.30 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-6-(2,6-dichlorophenyl)-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 150378730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).