5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine

C14H24N4 — CID 134697657

IUPAC5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(NCC2(CC(C)C)CCC2)nc1N
InChIInChI=1S/C14H24N4/c1-10(2)7-14(5-4-6-14)9-17-13-16-8-11(3)12(15)18-13/h8,10H,4-7,9H2,1-3H3,(H3,15,16,17,18)
InChIKeyIZWTVFMNWXONEE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.00
Rot. Bonds5

About 5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine

5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine (PubChem CID 134697657) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine
PubChem CID134697657
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(NCC2(CC(C)C)CCC2)nc1N
InChIInChI=1S/C14H24N4/c1-10(2)7-14(5-4-6-14)9-17-13-16-8-11(3)12(15)18-13/h8,10H,4-7,9H2,1-3H3,(H3,15,16,17,18)
InChIKeyIZWTVFMNWXONEE-UHFFFAOYSA-N
XLogP3.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]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-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine (CID 134697657) is 5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine is Cc1cnc(NCC2(CC(C)C)CCC2)nc1N.
What is the InChIKey of 5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is IZWTVFMNWXONEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)7-14(5-4-6-14)9-17-13-16-8-11(3)12(15)18-13/h8,10H,4-7,9H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine?
5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 134697657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).