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

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Related Compounds

Msx-122
CID 11687907
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
trans-N-(4-(2-(4-Phenyl-1-piperazinyl)ethyl)cyclohexyl)-2-pyrimidinamine
CID 3075615
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788
2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 16108900
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
N-benzylpyrimidin-5-amine
CID 819920

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).