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

C10H15ClN4O3 — CID 62857641

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1nc(Cl)nc(OC)n1)C(=O)O
InChIInChI=1S/C10H15ClN4O3/c1-4-5-10(2,6(16)17)15-8-12-7(11)13-9(14-8)18-3/h4-5H2,1-3H3,(H,16,17)(H,12,13,14,15)
InChIKeyABCCUNRBDMFHLN-UHFFFAOYSA-N
MW274.71 g/mol
LogP1.59
Rot. Bonds6

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

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid (PubChem CID 62857641) has the molecular formula C10H15ClN4O3 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid
PubChem CID62857641
Molecular FormulaC10H15ClN4O3
Molecular Weight274.71 g/mol
Exact Mass274.08
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1nc(Cl)nc(OC)n1)C(=O)O
InChIInChI=1S/C10H15ClN4O3/c1-4-5-10(2,6(16)17)15-8-12-7(11)13-9(14-8)18-3/h4-5H2,1-3H3,(H,16,17)(H,12,13,14,15)
InChIKeyABCCUNRBDMFHLN-UHFFFAOYSA-N
XLogP1.59
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid with MolForge

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Related Compounds

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide
CID 62858479
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866305
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine
CID 63194425
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
CID 62857957
2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
CID 43619335
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutanoic acid
CID 80539533
4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
CID 62859139
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate
CID 115355512
4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine
CID 6430811
3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83113419
2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 66284573

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid (CID 62857641) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid is CCCC(C)(Nc1nc(Cl)nc(OC)n1)C(=O)O.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid?
The InChIKey is ABCCUNRBDMFHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3/c1-4-5-10(2,6(16)17)15-8-12-7(11)13-9(14-8)18-3/h4-5H2,1-3H3,(H,16,17)(H,12,13,14,15).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid has a molecular weight of 274.71 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 62857641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).