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

C12H19N3O3 — CID 112636105

IUPAC4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCOc1ccnc(NC(C)CCC(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-3-8-18-10-6-7-13-12(15-10)14-9(2)4-5-11(16)17/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyOHFFDATXTRFUPF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.93
Rot. Bonds8

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

4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid (PubChem CID 112636105) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
PubChem CID112636105
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCOc1ccnc(NC(C)CCC(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-3-8-18-10-6-7-13-12(15-10)14-9(2)4-5-11(16)17/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyOHFFDATXTRFUPF-UHFFFAOYSA-N
XLogP1.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
CID 115975024
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
CID 112638932
2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 104683082
N-(1-chloro-4-methylpentan-3-yl)-4-propoxypyrimidin-2-amine
CID 106354270
2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115974224
2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
CID 112638478
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid (CID 112636105) is 4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid is CCCOc1ccnc(NC(C)CCC(=O)O)n1.
What is the InChIKey of 4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is OHFFDATXTRFUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-8-18-10-6-7-13-12(15-10)14-9(2)4-5-11(16)17/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid?
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 112636105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).