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

C8H11ClN6O — CID 80792553

IUPAC2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide
SMILESNc1nc(Cl)nc(NCC(=O)NC2CC2)n1
InChIInChI=1S/C8H11ClN6O/c9-6-13-7(10)15-8(14-6)11-3-5(16)12-4-1-2-4/h4H,1-3H2,(H,12,16)(H3,10,11,13,14,15)
InChIKeySKMZEVIYQUBKED-UHFFFAOYSA-N
MW242.67 g/mol
LogP-0.20
Rot. Bonds4

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

2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide (PubChem CID 80792553) has the molecular formula C8H11ClN6O and a molecular weight of 242.67 g/mol. Its IUPAC name is 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide
PubChem CID80792553
Molecular FormulaC8H11ClN6O
Molecular Weight242.67 g/mol
Exact Mass242.07
IUPAC Name2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide
SMILESNc1nc(Cl)nc(NCC(=O)NC2CC2)n1
InChIInChI=1S/C8H11ClN6O/c9-6-13-7(10)15-8(14-6)11-3-5(16)12-4-1-2-4/h4H,1-3H2,(H,12,16)(H3,10,11,13,14,15)
InChIKeySKMZEVIYQUBKED-UHFFFAOYSA-N
XLogP-0.20
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide
CID 79556332
2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide
CID 66276026
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
CID 80849955
4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 80836242
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
N-cyclopropyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80775829
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-cyclopropylacetamide
CID 80820490
2-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 80793027
N-cyclopropyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750403
4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 79401202
6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 80827381
6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80773525

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide (CID 80792553) is 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide is Nc1nc(Cl)nc(NCC(=O)NC2CC2)n1.
What is the InChIKey of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide?
The InChIKey is SKMZEVIYQUBKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN6O/c9-6-13-7(10)15-8(14-6)11-3-5(16)12-4-1-2-4/h4H,1-3H2,(H,12,16)(H3,10,11,13,14,15).
What are the key properties of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide?
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide has a molecular weight of 242.67 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 80792553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).