2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one

C13H18N4O — CID 136961774

IUPAC2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2=CCNCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H18N4O/c18-12-7-11(16-13(17-12)10-1-2-10)15-8-9-3-5-14-6-4-9/h3,7,10,14H,1-2,4-6,8H2,(H2,15,16,17,18)
InChIKeyXHPRARHOOUKBAL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.98
Rot. Bonds4

About 2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136961774) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136961774
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2=CCNCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H18N4O/c18-12-7-11(16-13(17-12)10-1-2-10)15-8-9-3-5-14-6-4-9/h3,7,10,14H,1-2,4-6,8H2,(H2,15,16,17,18)
InChIKeyXHPRARHOOUKBAL-UHFFFAOYSA-N
XLogP0.98
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737816
2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136974677
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
4-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136975898
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136987597
2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016422
2-cyclopropyl-4-[(1-methylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974708
2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016366
4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974738

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one (CID 136961774) is 2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one is O=c1cc(NCC2=CCNCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is XHPRARHOOUKBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-12-7-11(16-13(17-12)10-1-2-10)15-8-9-3-5-14-6-4-9/h3,7,10,14H,1-2,4-6,8H2,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 246.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136961774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).