N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine

C17H15ClN4 — CID 91140363

IUPACN-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine
SMILESNCc1c(Cl)cccc1N(c1ccccc1)c1ccncn1
InChIInChI=1S/C17H15ClN4/c18-15-7-4-8-16(14(15)11-19)22(13-5-2-1-3-6-13)17-9-10-20-12-21-17/h1-10,12H,11,19H2
InChIKeyQHCKOBPLKPMRIJ-UHFFFAOYSA-N
MW310.79 g/mol
LogP4.06
Rot. Bonds4

About N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine

N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine (PubChem CID 91140363) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine
PubChem CID91140363
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC NameN-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine
SMILESNCc1c(Cl)cccc1N(c1ccccc1)c1ccncn1
InChIInChI=1S/C17H15ClN4/c18-15-7-4-8-16(14(15)11-19)22(13-5-2-1-3-6-13)17-9-10-20-12-21-17/h1-10,12H,11,19H2
InChIKeyQHCKOBPLKPMRIJ-UHFFFAOYSA-N
XLogP4.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine?
The IUPAC name of N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine (CID 91140363) is N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine is NCc1c(Cl)cccc1N(c1ccccc1)c1ccncn1.
What is the InChIKey of N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine?
The InChIKey is QHCKOBPLKPMRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c18-15-7-4-8-16(14(15)11-19)22(13-5-2-1-3-6-13)17-9-10-20-12-21-17/h1-10,12H,11,19H2.
What are the key properties of N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine?
N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine has a molecular weight of 310.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3-chlorophenyl]-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 91140363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).