N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide

C19H30N4O2 — CID 70709563

IUPACN,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C19H30N4O2/c1-15-20-13-16(17(24)21-15)18(25)22(2)14-19(9-5-3-6-10-19)23-11-7-4-8-12-23/h13H,3-12,14H2,1-2H3,(H,20,21,24)
InChIKeyUKZDHCFOQMUBDP-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.34
Rot. Bonds4

About N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide

N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 70709563) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
PubChem CID70709563
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C19H30N4O2/c1-15-20-13-16(17(24)21-15)18(25)22(2)14-19(9-5-3-6-10-19)23-11-7-4-8-12-23/h13H,3-12,14H2,1-2H3,(H,20,21,24)
InChIKeyUKZDHCFOQMUBDP-UHFFFAOYSA-N
XLogP2.34
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)carbonyl]-2-isopropylpyrimidin-4(3H)-one
CID 56742402
N,2-dimethyl-7-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 56908642
2-tert-butyl-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
CID 70738324
2-cyclopropyl-N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56884318
N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56891064
N-methyl-2-(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)-N-{[1-(1-piperidinyl)cyclohexyl]methyl}acetamide
CID 56895384
5-{[4-(1-adamantyl)-1-piperazinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 56902658
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 70752567
3-[(4-Hydroxy-2-methylpyrimidin-5-yl)carbonyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 72839361
2-Methyl-5-{[3-(2-methylpiperidin-1-yl)azetidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72877288
5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896274

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide (CID 70709563) is N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)c(=O)[nH]1.
What is the InChIKey of N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is UKZDHCFOQMUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-20-13-16(17(24)21-15)18(25)22(2)14-19(9-5-3-6-10-19)23-11-7-4-8-12-23/h13H,3-12,14H2,1-2H3,(H,20,21,24).
What are the key properties of N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70709563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).