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

C8H13ClN6O — CID 106098676

IUPAC3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H13ClN6O/c1-8(2,3-4(10)16)15-7-13-5(9)12-6(11)14-7/h3H2,1-2H3,(H2,10,16)(H3,11,12,13,14,15)
InChIKeyJYBVWKBNJSLBAI-UHFFFAOYSA-N
MW244.69 g/mol
LogP0.17
Rot. Bonds4

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

3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide (PubChem CID 106098676) has the molecular formula C8H13ClN6O and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
PubChem CID106098676
Molecular FormulaC8H13ClN6O
Molecular Weight244.69 g/mol
Exact Mass244.08
IUPAC Name3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H13ClN6O/c1-8(2,3-4(10)16)15-7-13-5(9)12-6(11)14-7/h3H2,1-2H3,(H2,10,16)(H3,11,12,13,14,15)
InChIKeyJYBVWKBNJSLBAI-UHFFFAOYSA-N
XLogP0.17
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
CID 106098081
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 114143236
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-3-methylbutanamide
CID 106098053
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106095681
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
CID 106178882
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 106097326
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149742
tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate
CID 20624439
N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80838189
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679
3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
CID 106097186

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide (CID 106098676) is 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1nc(N)nc(Cl)n1.
What is the InChIKey of 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The InChIKey is JYBVWKBNJSLBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN6O/c1-8(2,3-4(10)16)15-7-13-5(9)12-6(11)14-7/h3H2,1-2H3,(H2,10,16)(H3,11,12,13,14,15).
What are the key properties of 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide has a molecular weight of 244.69 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106098676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).