4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid

C14H23N3O3 — CID 115973000

IUPAC4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCOc1cc(C)nc(NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C14H23N3O3/c1-5-8-20-11-9-10(2)15-13(16-11)17-14(3,4)7-6-12(18)19/h9H,5-8H2,1-4H3,(H,18,19)(H,15,16,17)
InChIKeyUHAYVCWAGJCQPR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.63
Rot. Bonds8

About 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid

4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid (PubChem CID 115973000) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
PubChem CID115973000
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCOc1cc(C)nc(NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C14H23N3O3/c1-5-8-20-11-9-10(2)15-13(16-11)17-14(3,4)7-6-12(18)19/h9H,5-8H2,1-4H3,(H,18,19)(H,15,16,17)
InChIKeyUHAYVCWAGJCQPR-UHFFFAOYSA-N
XLogP2.63
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid with MolForge

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Related Compounds

4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 112634446
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
4-methyl-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 122059072
3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol
CID 106177820
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107866270
4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine
CID 115774026
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973199
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid (CID 115973000) is 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid is CCCOc1cc(C)nc(NC(C)(C)CCC(=O)O)n1.
What is the InChIKey of 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is UHAYVCWAGJCQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-8-20-11-9-10(2)15-13(16-11)17-14(3,4)7-6-12(18)19/h9H,5-8H2,1-4H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid?
4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 281.36 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 115973000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).