5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine

C18H19N5 — CID 22062977

IUPAC5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(CNC(c2ccccc2)c2ccccc2)c(N)n1
InChIInChI=1S/C18H19N5/c19-17-15(12-22-18(20)23-17)11-21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,16,21H,11H2,(H4,19,20,22,23)
InChIKeyKKYUTGOPFFPRMI-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.52
Rot. Bonds5

About 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine

5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine (PubChem CID 22062977) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine
PubChem CID22062977
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(CNC(c2ccccc2)c2ccccc2)c(N)n1
InChIInChI=1S/C18H19N5/c19-17-15(12-22-18(20)23-17)11-21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,16,21H,11H2,(H4,19,20,22,23)
InChIKeyKKYUTGOPFFPRMI-UHFFFAOYSA-N
XLogP2.52
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine (CID 22062977) is 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine is Nc1ncc(CNC(c2ccccc2)c2ccccc2)c(N)n1.
What is the InChIKey of 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine?
The InChIKey is KKYUTGOPFFPRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c19-17-15(12-22-18(20)23-17)11-21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,16,21H,11H2,(H4,19,20,22,23).
What are the key properties of 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine?
5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine has a molecular weight of 305.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 22062977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).