N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide

C12H18N4O — CID 79393988

IUPACN-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
SMILESCc1cc(C)nc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H18N4O/c1-8-7-9(2)15-12(14-8)13-6-5-11(17)16-10-3-4-10/h7,10H,3-6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyXPBBNGFUUJONNQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.17
Rot. Bonds5

About N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide

N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide (PubChem CID 79393988) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
PubChem CID79393988
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
SMILESCc1cc(C)nc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H18N4O/c1-8-7-9(2)15-12(14-8)13-6-5-11(17)16-10-3-4-10/h7,10H,3-6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyXPBBNGFUUJONNQ-UHFFFAOYSA-N
XLogP1.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-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

N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
CID 80849955
N-cyclopentyl-3-[(3,6-dimethylpyrazin-2-yl)amino]propanamide
CID 91648208
N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide
CID 79394556
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide
CID 80848551
3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80849479
N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80835468
N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80849792
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109014106
4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 114767803
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 90634754

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide (CID 79393988) is N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide is Cc1cc(C)nc(NCCC(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide?
The InChIKey is XPBBNGFUUJONNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-7-9(2)15-12(14-8)13-6-5-11(17)16-10-3-4-10/h7,10H,3-6H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide?
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide has a molecular weight of 234.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 79393988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).