4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid

C16H18N4O2 — CID 122058595

IUPAC4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid
SMILESO=C(O)CCCNc1nc(-c2ccccn2)nc2c1CCC2
InChIInChI=1S/C16H18N4O2/c21-14(22)8-4-10-18-15-11-5-3-7-12(11)19-16(20-15)13-6-1-2-9-17-13/h1-2,6,9H,3-5,7-8,10H2,(H,21,22)(H,18,19,20)
InChIKeySLKBFEYPHPOLGR-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.30
Rot. Bonds6

About 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid

4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid (PubChem CID 122058595) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid
PubChem CID122058595
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid
SMILESO=C(O)CCCNc1nc(-c2ccccn2)nc2c1CCC2
InChIInChI=1S/C16H18N4O2/c21-14(22)8-4-10-18-15-11-5-3-7-12(11)19-16(20-15)13-6-1-2-9-17-13/h1-2,6,9H,3-5,7-8,10H2,(H,21,22)(H,18,19,20)
InChIKeySLKBFEYPHPOLGR-UHFFFAOYSA-N
XLogP2.30
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid with MolForge

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Related Compounds

N-ethyl-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351510
2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 157030147
2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 133324076
2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol
CID 133400357
2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133415436
methyl 2,2,3-trimethyl-3-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate
CID 133350088
1-[4-(2-hydroxyethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70724655
1-[2-pyridin-2-yl-4-(3-pyridin-4-ylpropylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70721050
N-[(4-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 136559621
2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 133344011
N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide
CID 166209023
N-[2-[(7-acetyl-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 70727327

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid (CID 122058595) is 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid is O=C(O)CCCNc1nc(-c2ccccn2)nc2c1CCC2.
What is the InChIKey of 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is SLKBFEYPHPOLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-14(22)8-4-10-18-15-11-5-3-7-12(11)19-16(20-15)13-6-1-2-9-17-13/h1-2,6,9H,3-5,7-8,10H2,(H,21,22)(H,18,19,20).
What are the key properties of 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid?
4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 298.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 122058595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).