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

C14H23N3O4 — CID 115973199

IUPAC5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCOc1cc(C)nc(NC(CCCOC)C(=O)O)n1
InChIInChI=1S/C14H23N3O4/c1-4-7-21-12-9-10(2)15-14(17-12)16-11(13(18)19)6-5-8-20-3/h9,11H,4-8H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyRHRQNZGJIDHTIK-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.87
Rot. Bonds10

About 5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid

5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid (PubChem CID 115973199) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
PubChem CID115973199
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCOc1cc(C)nc(NC(CCCOC)C(=O)O)n1
InChIInChI=1S/C14H23N3O4/c1-4-7-21-12-9-10(2)15-14(17-12)16-11(13(18)19)6-5-8-20-3/h9,11H,4-8H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyRHRQNZGJIDHTIK-UHFFFAOYSA-N
XLogP1.87
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid
CID 114765528
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid
CID 81078172
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973000
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
[4-(3-methoxypropoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80917412

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid (CID 115973199) is 5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid is CCCOc1cc(C)nc(NC(CCCOC)C(=O)O)n1.
What is the InChIKey of 5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is RHRQNZGJIDHTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-4-7-21-12-9-10(2)15-14(17-12)16-11(13(18)19)6-5-8-20-3/h9,11H,4-8H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid?
5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 297.36 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 115973199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).