2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C17H26N4O2 — CID 70777499

IUPAC2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1)N(C)C
InChIInChI=1S/C17H26N4O2/c1-11(20(2)3)12-6-8-21(9-7-12)17(23)14-10-18-15(13-4-5-13)19-16(14)22/h10-13H,4-9H2,1-3H3,(H,18,19,22)
InChIKeyKXUQFIOECNDHLN-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.45
Rot. Bonds4

About 2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 70777499) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID70777499
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1)N(C)C
InChIInChI=1S/C17H26N4O2/c1-11(20(2)3)12-6-8-21(9-7-12)17(23)14-10-18-15(13-4-5-13)19-16(14)22/h10-13H,4-9H2,1-3H3,(H,18,19,22)
InChIKeyKXUQFIOECNDHLN-UHFFFAOYSA-N
XLogP1.45
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6,7,8,9-tetrahydro-6-methyl-4-oxo-
CID 118083
(3S)-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile
CID 124906952
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
5-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)carbonyl]-2-isopropylpyrimidin-4(3H)-one
CID 56742402
2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
5-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-2-isopropyl-4(3H)-pyrimidinone
CID 56874033
N-{1-[(cyclohexylamino)carbonyl]piperidin-4-yl}-2-cyclopropyl-4-hydroxypyrimidine-5-carboxamide
CID 70747856
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
5-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)-2-isopropylpyrimidin-4(3H)-one
CID 56720872
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide
CID 56760168
2-cyclopropyl-5-({4-[(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}carbonyl)pyrimidin-4(3H)-one
CID 56872730

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 70777499) is 2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is CC(C1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1)N(C)C.
What is the InChIKey of 2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is KXUQFIOECNDHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(20(2)3)12-6-8-21(9-7-12)17(23)14-10-18-15(13-4-5-13)19-16(14)22/h10-13H,4-9H2,1-3H3,(H,18,19,22).
What are the key properties of 2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 318.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 70777499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).