2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid

C9H15N3O2 — CID 153342761

IUPAC2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid
SMILESCCCC(NC1C=CNC=N1)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-2-3-7(9(13)14)12-8-4-5-10-6-11-8/h4-8,12H,2-3H2,1H3,(H,10,11)(H,13,14)
InChIKeyCCZXAZBNMGYOBC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.30
Rot. Bonds5

About 2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid

2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid (PubChem CID 153342761) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid
PubChem CID153342761
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid
SMILESCCCC(NC1C=CNC=N1)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-2-3-7(9(13)14)12-8-4-5-10-6-11-8/h4-8,12H,2-3H2,1H3,(H,10,11)(H,13,14)
InChIKeyCCZXAZBNMGYOBC-UHFFFAOYSA-N
XLogP0.30
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid?
The IUPAC name of 2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid (CID 153342761) is 2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid.
What is the SMILES notation for 2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid?
The canonical SMILES for 2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid is CCCC(NC1C=CNC=N1)C(=O)O.
What is the InChIKey of 2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid?
The InChIKey is CCZXAZBNMGYOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-7(9(13)14)12-8-4-5-10-6-11-8/h4-8,12H,2-3H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid?
2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dihydropyrimidin-4-ylamino)pentanoic acid is sourced from PubChem (CID 153342761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).