(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone

C14H20N4O — CID 109295994

IUPAC(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
SMILESC=CCNc1nccc(C(=O)N2CCCC(C)C2)n1
InChIInChI=1S/C14H20N4O/c1-3-7-15-14-16-8-6-12(17-14)13(19)18-9-4-5-11(2)10-18/h3,6,8,11H,1,4-5,7,9-10H2,2H3,(H,15,16,17)
InChIKeyGPJDQVRVXVALOW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.95
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone (PubChem CID 109295994) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
PubChem CID109295994
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
SMILESC=CCNc1nccc(C(=O)N2CCCC(C)C2)n1
InChIInChI=1S/C14H20N4O/c1-3-7-15-14-16-8-6-12(17-14)13(19)18-9-4-5-11(2)10-18/h3,6,8,11H,1,4-5,7,9-10H2,2H3,(H,15,16,17)
InChIKeyGPJDQVRVXVALOW-UHFFFAOYSA-N
XLogP1.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
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

piperidin-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295917
[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109311434
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109309740
N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109312821
[2-(3,4-dimethylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312774
[2-(3,4-dichloroanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312853
[2-(3-chloro-2-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312794
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312797
[4-(3-methylphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295973
(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109312815
[2-(4-bromo-3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312841
ethyl 2-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109312862

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone (CID 109295994) is (3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone is C=CCNc1nccc(C(=O)N2CCCC(C)C2)n1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone?
The InChIKey is GPJDQVRVXVALOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-7-15-14-16-8-6-12(17-14)13(19)18-9-4-5-11(2)10-18/h3,6,8,11H,1,4-5,7,9-10H2,2H3,(H,15,16,17).
What are the key properties of (3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109295994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).