2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide

C15H26N4O — CID 126599095

IUPAC2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide
SMILESC=C1NC(NC(=O)C(C)C)=NC(C)=C1NCC(C)CC
InChIInChI=1S/C15H26N4O/c1-7-10(4)8-16-13-11(5)17-15(18-12(13)6)19-14(20)9(2)3/h9-10,16H,5,7-8H2,1-4,6H3,(H2,17,18,19,20)
InChIKeyZKFRMJVSJQVCBU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.10
Rot. Bonds5

About 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide

2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide (PubChem CID 126599095) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide
PubChem CID126599095
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide
SMILESC=C1NC(NC(=O)C(C)C)=NC(C)=C1NCC(C)CC
InChIInChI=1S/C15H26N4O/c1-7-10(4)8-16-13-11(5)17-15(18-12(13)6)19-14(20)9(2)3/h9-10,16H,5,7-8H2,1-4,6H3,(H2,17,18,19,20)
InChIKeyZKFRMJVSJQVCBU-UHFFFAOYSA-N
XLogP2.10
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide 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 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide (CID 126599095) is 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide is C=C1NC(NC(=O)C(C)C)=NC(C)=C1NCC(C)CC.
What is the InChIKey of 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide?
The InChIKey is ZKFRMJVSJQVCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-7-10(4)8-16-13-11(5)17-15(18-12(13)6)19-14(20)9(2)3/h9-10,16H,5,7-8H2,1-4,6H3,(H2,17,18,19,20).
What are the key properties of 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide?
2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-methylidene-1H-pyrimidin-2-yl]propanamide is sourced from PubChem (CID 126599095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).