5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine

C14H17ClN4 — CID 80831177

IUPAC5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C14H17ClN4/c1-10(8-11-6-4-3-5-7-11)18-13-12(15)9-17-14(16-2)19-13/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyFCUSMYBCCIKTFN-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.21
Rot. Bonds5

About 5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine

5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80831177) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
PubChem CID80831177
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C14H17ClN4/c1-10(8-11-6-4-3-5-7-11)18-13-12(15)9-17-14(16-2)19-13/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyFCUSMYBCCIKTFN-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)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-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine (CID 80831177) is 5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine is CNc1ncc(Cl)c(NC(C)Cc2ccccc2)n1.
What is the InChIKey of 5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is FCUSMYBCCIKTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-10(8-11-6-4-3-5-7-11)18-13-12(15)9-17-14(16-2)19-13/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine?
5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80831177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).