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

C14H23N3O3 — CID 115973001

IUPAC4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
SMILESCc1cc(OC(C)C)nc(NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C14H23N3O3/c1-9(2)20-11-8-10(3)15-13(16-11)17-14(4,5)7-6-12(18)19/h8-9H,6-7H2,1-5H3,(H,18,19)(H,15,16,17)
InChIKeyJVSDTKOIZCCQHP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.63
Rot. Bonds7

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

4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid (PubChem CID 115973001) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
PubChem CID115973001
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
SMILESCc1cc(OC(C)C)nc(NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C14H23N3O3/c1-9(2)20-11-8-10(3)15-13(16-11)17-14(4,5)7-6-12(18)19/h8-9H,6-7H2,1-5H3,(H,18,19)(H,15,16,17)
InChIKeyJVSDTKOIZCCQHP-UHFFFAOYSA-N
XLogP2.63
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-propan-2-yloxypyrimidin-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-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973000
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
4-methyl-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 122059072
methyl 2-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoate
CID 115973686
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
CID 115972915
3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine
CID 106165726
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
CID 112638489

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid (CID 115973001) is 4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid is Cc1cc(OC(C)C)nc(NC(C)(C)CCC(=O)O)n1.
What is the InChIKey of 4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is JVSDTKOIZCCQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)20-11-8-10(3)15-13(16-11)17-14(4,5)7-6-12(18)19/h8-9H,6-7H2,1-5H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 281.36 g/mol, XLogP of 2.63, 7 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-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 115973001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).