[4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine

C18H18N4 — CID 10171675

IUPAC[4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine
SMILESNCc1nc(-c2ccccc2)nc(-c2ccccc2)c1CN
InChIInChI=1S/C18H18N4/c19-11-15-16(12-20)21-18(14-9-5-2-6-10-14)22-17(15)13-7-3-1-4-8-13/h1-10H,11-12,19-20H2
InChIKeyCRSWCRLCIQQPHF-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.73
Rot. Bonds4

About [4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine

[4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine (PubChem CID 10171675) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is [4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine
PubChem CID10171675
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name[4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine
SMILESNCc1nc(-c2ccccc2)nc(-c2ccccc2)c1CN
InChIInChI=1S/C18H18N4/c19-11-15-16(12-20)21-18(14-9-5-2-6-10-14)22-17(15)13-7-3-1-4-8-13/h1-10H,11-12,19-20H2
InChIKeyCRSWCRLCIQQPHF-UHFFFAOYSA-N
XLogP2.73
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine?
The IUPAC name of [4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine (CID 10171675) is [4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine is NCc1nc(-c2ccccc2)nc(-c2ccccc2)c1CN.
What is the InChIKey of [4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine?
The InChIKey is CRSWCRLCIQQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c19-11-15-16(12-20)21-18(14-9-5-2-6-10-14)22-17(15)13-7-3-1-4-8-13/h1-10H,11-12,19-20H2.
What are the key properties of [4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine?
[4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine has a molecular weight of 290.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2,6-diphenylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 10171675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).