2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one

C14H22N4O — CID 136737824

IUPAC2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2=CCNCC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O/c1-10(2)14-17-12(9-13(19)18-14)16-8-5-11-3-6-15-7-4-11/h3,9-10,15H,4-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyUCAPTXUVHWARAN-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.62
Rot. Bonds5

About 2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one

2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136737824) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136737824
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2=CCNCC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O/c1-10(2)14-17-12(9-13(19)18-14)16-8-5-11-3-6-15-7-4-11/h3,9-10,15H,4-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyUCAPTXUVHWARAN-UHFFFAOYSA-N
XLogP1.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 136737824) is 2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one is CC(C)c1nc(NCCC2=CCNCC2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is UCAPTXUVHWARAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)14-17-12(9-13(19)18-14)16-8-5-11-3-6-15-7-4-11/h3,9-10,15H,4-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136737824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).