1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid

C15H22N4O2 — CID 72863115

IUPAC1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid
SMILESCC(C)=CCC1(C(=O)O)CCCN(c2cc(N)ncn2)C1
InChIInChI=1S/C15H22N4O2/c1-11(2)4-6-15(14(20)21)5-3-7-19(9-15)13-8-12(16)17-10-18-13/h4,8,10H,3,5-7,9H2,1-2H3,(H,20,21)(H2,16,17,18)
InChIKeyJVUUBQBCVZZJNC-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.09
Rot. Bonds4

About 1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid

1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid (PubChem CID 72863115) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid
PubChem CID72863115
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid
SMILESCC(C)=CCC1(C(=O)O)CCCN(c2cc(N)ncn2)C1
InChIInChI=1S/C15H22N4O2/c1-11(2)4-6-15(14(20)21)5-3-7-19(9-15)13-8-12(16)17-10-18-13/h4,8,10H,3,5-7,9H2,1-2H3,(H,20,21)(H2,16,17,18)
InChIKeyJVUUBQBCVZZJNC-UHFFFAOYSA-N
XLogP2.09
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Amino-4-pyrimidinyl)-3-(3-methyl-2-buten-1-yl)-3-piperidinecarboxylic acid
CID 72859792
3-(3-Methyl-2-buten-1-yl)-1-(2-methyl-4-pyrimidinyl)-3-piperidinecarboxylic acid
CID 72937122
3-{1-[6-(Ethylamino)pyrimidin-4-yl]piperidin-4-yl}propanoic acid
CID 90488011
3-{1-[6-(Propylamino)pyrimidin-4-YL]piperidin-4-YL}propanoic acid
CID 90488012
[1-(2-Amino-4-pyrimidinyl)-3-(3-methyl-2-buten-1-yl)-3-piperidinyl]methanol
CID 72901817
(3R)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97152625
1-(2-Aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid
CID 156541282
3-Methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 55164540
3-Methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 55164541
3-Ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 55165503
1-(2,6-Dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid
CID 55165505
3-Ethyl-1-pyrimidin-2-ylpiperidine-3-carboxylic acid
CID 55165698

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid (CID 72863115) is 1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid is CC(C)=CCC1(C(=O)O)CCCN(c2cc(N)ncn2)C1.
What is the InChIKey of 1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid?
The InChIKey is JVUUBQBCVZZJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(2)4-6-15(14(20)21)5-3-7-19(9-15)13-8-12(16)17-10-18-13/h4,8,10H,3,5-7,9H2,1-2H3,(H,20,21)(H2,16,17,18).
What are the key properties of 1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid?
1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrimidin-4-yl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72863115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).