N,N-dimethylacetamide;pyrimidine-2,4-diamine

C8H15N5O — CID 139062338

IUPACN,N-dimethylacetamide;pyrimidine-2,4-diamine
SMILESCC(=O)N(C)C.Nc1ccnc(N)n1
InChIInChI=1S/C4H6N4.C4H9NO/c5-3-1-2-7-4(6)8-3;1-4(6)5(2)3/h1-2H,(H4,5,6,7,8);1-3H3
InChIKeyGPBVPBMNUKTVOU-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.26
Rot. Bonds

About N,N-dimethylacetamide;pyrimidine-2,4-diamine

N,N-dimethylacetamide;pyrimidine-2,4-diamine (PubChem CID 139062338) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N,N-dimethylacetamide;pyrimidine-2,4-diamine.

Molecular Properties

Compound NameN,N-dimethylacetamide;pyrimidine-2,4-diamine
PubChem CID139062338
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN,N-dimethylacetamide;pyrimidine-2,4-diamine
SMILESCC(=O)N(C)C.Nc1ccnc(N)n1
InChIInChI=1S/C4H6N4.C4H9NO/c5-3-1-2-7-4(6)8-3;1-4(6)5(2)3/h1-2H,(H4,5,6,7,8);1-3H3
InChIKeyGPBVPBMNUKTVOU-UHFFFAOYSA-N
XLogP-0.26
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-dimethylacetamide;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 N,N-dimethylacetamide;pyrimidine-2,4-diamine?
The IUPAC name of N,N-dimethylacetamide;pyrimidine-2,4-diamine (CID 139062338) is N,N-dimethylacetamide;pyrimidine-2,4-diamine.
What is the SMILES notation for N,N-dimethylacetamide;pyrimidine-2,4-diamine?
The canonical SMILES for N,N-dimethylacetamide;pyrimidine-2,4-diamine is CC(=O)N(C)C.Nc1ccnc(N)n1.
What is the InChIKey of N,N-dimethylacetamide;pyrimidine-2,4-diamine?
The InChIKey is GPBVPBMNUKTVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4.C4H9NO/c5-3-1-2-7-4(6)8-3;1-4(6)5(2)3/h1-2H,(H4,5,6,7,8);1-3H3.
What are the key properties of N,N-dimethylacetamide;pyrimidine-2,4-diamine?
N,N-dimethylacetamide;pyrimidine-2,4-diamine has a molecular weight of 197.24 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;pyrimidine-2,4-diamine is sourced from PubChem (CID 139062338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).