3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid

C12H18N4O2 — CID 122048200

IUPAC3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)CCNc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C12H18N4O2/c17-11(18)5-7-13-10-4-6-14-12(15-10)16-8-2-1-3-9-16/h4,6H,1-3,5,7-9H2,(H,17,18)(H,13,14,15)
InChIKeyDOKDRCLDCFGHHV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.35
Rot. Bonds5

About 3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid

3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 122048200) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid
PubChem CID122048200
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)CCNc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C12H18N4O2/c17-11(18)5-7-13-10-4-6-14-12(15-10)16-8-2-1-3-9-16/h4,6H,1-3,5,7-9H2,(H,17,18)(H,13,14,15)
InChIKeyDOKDRCLDCFGHHV-UHFFFAOYSA-N
XLogP1.35
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884684
2-(azepan-1-yl)-N-(3-phenylpropyl)pyrimidin-4-amine
CID 112899263
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine
CID 112884620
2-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112884645
N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112883142
3-[2-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one;2,2,2-trifluoroacetic acid
CID 154851381
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924
2-(azepan-1-yl)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidin-4-amine
CID 112901497
3-[2-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 154851382
3-[(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propanoic acid
CID 122048163
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 117079763

Frequently Asked Questions

What is the IUPAC name of 3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid (CID 122048200) is 3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid is O=C(O)CCNc1ccnc(N2CCCCC2)n1.
What is the InChIKey of 3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is DOKDRCLDCFGHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-11(18)5-7-13-10-4-6-14-12(15-10)16-8-2-1-3-9-16/h4,6H,1-3,5,7-9H2,(H,17,18)(H,13,14,15).
What are the key properties of 3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid?
3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122048200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).