2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one

C15H24N4O — CID 136733813

IUPAC2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)CCCNC1CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-15(2)6-3-7-16-11(15)9-17-12-8-13(20)19-14(18-12)10-4-5-10/h8,10-11,16H,3-7,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyAMQNEKREZHPSQG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds4

About 2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136733813) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136733813
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)CCCNC1CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-15(2)6-3-7-16-11(15)9-17-12-8-13(20)19-14(18-12)10-4-5-10/h8,10-11,16H,3-7,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyAMQNEKREZHPSQG-UHFFFAOYSA-N
XLogP1.84
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
4-(dimethylamino)-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136345065
4-amino-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136392511
4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136672017
4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672018
4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136672019
4-[(2-amino-1-cyclopentylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672023
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136687963
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136687968
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136687970
2-cyclopropyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701821

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136733813) is 2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one is CC1(C)CCCNC1CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is AMQNEKREZHPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2)6-3-7-16-11(15)9-17-12-8-13(20)19-14(18-12)10-4-5-10/h8,10-11,16H,3-7,9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136733813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).