4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine

C13H20N4 — CID 112882660

IUPAC4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nccc(N2CCC(C)CC2)n1
InChIInChI=1S/C13H20N4/c1-3-7-14-13-15-8-4-12(16-13)17-9-5-11(2)6-10-17/h3-4,8,11H,1,5-7,9-10H2,2H3,(H,14,15,16)
InChIKeyACAKWBHHSZCSHM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.31
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine

4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine (PubChem CID 112882660) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
PubChem CID112882660
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nccc(N2CCC(C)CC2)n1
InChIInChI=1S/C13H20N4/c1-3-7-14-13-15-8-4-12(16-13)17-9-5-11(2)6-10-17/h3-4,8,11H,1,5-7,9-10H2,2H3,(H,14,15,16)
InChIKeyACAKWBHHSZCSHM-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882670
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885070
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine
CID 112882740
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885157
N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885130
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295994
4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80784615
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine (CID 112882660) is 4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine is C=CCNc1nccc(N2CCC(C)CC2)n1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is ACAKWBHHSZCSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-7-14-13-15-8-4-12(16-13)17-9-5-11(2)6-10-17/h3-4,8,11H,1,5-7,9-10H2,2H3,(H,14,15,16).
What are the key properties of 4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine?
4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 112882660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).