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

C14H23N3O3 — CID 115973104

IUPAC2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(CNc1nc(C)cc(OC(C)C)n1)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-5-6-11(13(18)19)8-15-14-16-10(4)7-12(17-14)20-9(2)3/h7,9,11H,5-6,8H2,1-4H3,(H,18,19)(H,15,16,17)
InChIKeyKYGZEJNRSUUBDB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.49
Rot. Bonds8

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

2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid (PubChem CID 115973104) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
PubChem CID115973104
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
SMILESCCCC(CNc1nc(C)cc(OC(C)C)n1)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-5-6-11(13(18)19)8-15-14-16-10(4)7-12(17-14)20-9(2)3/h7,9,11H,5-6,8H2,1-4H3,(H,18,19)(H,15,16,17)
InChIKeyKYGZEJNRSUUBDB-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid
CID 65226929
N-ethyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636791
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
CID 115972915
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637759
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
CID 112638489
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
CID 107159428
methyl 2-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoate
CID 115973686

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid (CID 115973104) is 2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid is CCCC(CNc1nc(C)cc(OC(C)C)n1)C(=O)O.
What is the InChIKey of 2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid?
The InChIKey is KYGZEJNRSUUBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-6-11(13(18)19)8-15-14-16-10(4)7-12(17-14)20-9(2)3/h7,9,11H,5-6,8H2,1-4H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid?
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid has a molecular weight of 281.36 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid is sourced from PubChem (CID 115973104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).