2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide

C13H23N5O — CID 106280601

IUPAC2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1ncc(C)c(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C13H23N5O/c1-5-6-15-12-16-7-9(2)10(18-12)17-8-13(3,4)11(14)19/h7H,5-6,8H2,1-4H3,(H2,14,19)(H2,15,16,17,18)
InChIKeySNNIBHNHEMWDNI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.53
Rot. Bonds7

About 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide

2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 106280601) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID106280601
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1ncc(C)c(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C13H23N5O/c1-5-6-15-12-16-7-9(2)10(18-12)17-8-13(3,4)11(14)19/h7H,5-6,8H2,1-4H3,(H2,14,19)(H2,15,16,17,18)
InChIKeySNNIBHNHEMWDNI-UHFFFAOYSA-N
XLogP1.53
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280543
4-N-(2-ethoxy-2-methylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 114944668
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280884
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 107868640
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280482
2-[methyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80779907
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248711
5-methyl-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848762

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide (CID 106280601) is 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide is CCCNc1ncc(C)c(NCC(C)(C)C(N)=O)n1.
What is the InChIKey of 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is SNNIBHNHEMWDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-6-15-12-16-7-9(2)10(18-12)17-8-13(3,4)11(14)19/h7H,5-6,8H2,1-4H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide?
2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 106280601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).