3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide

C10H15ClN6O — CID 80849955

IUPAC3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
SMILESCNc1nc(Cl)nc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C10H15ClN6O/c1-12-9-15-8(11)16-10(17-9)13-5-4-7(18)14-6-2-3-6/h6H,2-5H2,1H3,(H,14,18)(H2,12,13,15,16,17)
InChIKeyBNJYEXVMMKBOJW-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.65
Rot. Bonds6

About 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide

3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide (PubChem CID 80849955) has the molecular formula C10H15ClN6O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
PubChem CID80849955
Molecular FormulaC10H15ClN6O
Molecular Weight270.72 g/mol
Exact Mass270.10
IUPAC Name3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
SMILESCNc1nc(Cl)nc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C10H15ClN6O/c1-12-9-15-8(11)16-10(17-9)13-5-4-7(18)14-6-2-3-6/h6H,2-5H2,1H3,(H,14,18)(H2,12,13,15,16,17)
InChIKeyBNJYEXVMMKBOJW-UHFFFAOYSA-N
XLogP0.65
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide 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

4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 80836242
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 79401202
6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80847833
N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide
CID 80835488
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide
CID 80792553
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide
CID 80848551
N-cyclopropyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80775829
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-cyclopropylacetamide
CID 80820490
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80545671

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide (CID 80849955) is 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide is CNc1nc(Cl)nc(NCCC(=O)NC2CC2)n1.
What is the InChIKey of 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide?
The InChIKey is BNJYEXVMMKBOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6O/c1-12-9-15-8(11)16-10(17-9)13-5-4-7(18)14-6-2-3-6/h6H,2-5H2,1H3,(H,14,18)(H2,12,13,15,16,17).
What are the key properties of 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide?
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide has a molecular weight of 270.72 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 80849955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).