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

C13H21ClN6O — CID 80836242

IUPAC4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
SMILESCCCNc1nc(Cl)nc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C13H21ClN6O/c1-2-7-15-12-18-11(14)19-13(20-12)16-8-3-4-10(21)17-9-5-6-9/h9H,2-8H2,1H3,(H,17,21)(H2,15,16,18,19,20)
InChIKeyUUTZWBNWYNGMRT-UHFFFAOYSA-N
MW312.81 g/mol
LogP1.82
Rot. Bonds9

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

4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide (PubChem CID 80836242) has the molecular formula C13H21ClN6O and a molecular weight of 312.81 g/mol. Its IUPAC name is 4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
PubChem CID80836242
Molecular FormulaC13H21ClN6O
Molecular Weight312.81 g/mol
Exact Mass312.15
IUPAC Name4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
SMILESCCCNc1nc(Cl)nc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C13H21ClN6O/c1-2-7-15-12-18-11(14)19-13(20-12)16-8-3-4-10(21)17-9-5-6-9/h9H,2-8H2,1H3,(H,17,21)(H2,15,16,18,19,20)
InChIKeyUUTZWBNWYNGMRT-UHFFFAOYSA-N
XLogP1.82
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.81
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide with MolForge

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Related Compounds

4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 79401202
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
CID 80849955
N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80835175
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80855943
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 78918775
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786907
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121
4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 103322070
N-cyclopropyl-4-[(3,5,6-trichloro-2-pyridinyl)amino]butanamide
CID 102751454
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide (CID 80836242) is 4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide is CCCNc1nc(Cl)nc(NCCCC(=O)NC2CC2)n1.
What is the InChIKey of 4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide?
The InChIKey is UUTZWBNWYNGMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6O/c1-2-7-15-12-18-11(14)19-13(20-12)16-8-3-4-10(21)17-9-5-6-9/h9H,2-8H2,1H3,(H,17,21)(H2,15,16,18,19,20).
What are the key properties of 4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide?
4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide has a molecular weight of 312.81 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 80836242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).