2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C16H24N4O2 — CID 138004723

IUPAC2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CCCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H24N4O2/c1-19(2)10-12-5-3-4-8-20(12)16(22)13-9-14(21)18-15(17-13)11-6-7-11/h9,11-12H,3-8,10H2,1-2H3,(H,17,18,21)
InChIKeyUFTWWCTUYBFURL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.20
Rot. Bonds4

About 2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 138004723) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID138004723
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CCCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H24N4O2/c1-19(2)10-12-5-3-4-8-20(12)16(22)13-9-14(21)18-15(17-13)11-6-7-11/h9,11-12H,3-8,10H2,1-2H3,(H,17,18,21)
InChIKeyUFTWWCTUYBFURL-UHFFFAOYSA-N
XLogP1.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 138004723) is 2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is CN(C)CC1CCCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is UFTWWCTUYBFURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19(2)10-12-5-3-4-8-20(12)16(22)13-9-14(21)18-15(17-13)11-6-7-11/h9,11-12H,3-8,10H2,1-2H3,(H,17,18,21).
What are the key properties of 2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 304.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 138004723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).