N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide

C16H23F2N3O2 — CID 136542887

IUPACN-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide
SMILESCc1nc(C)c(CCC(=O)N(C)C2CCC(F)(F)CC2)c(=O)[nH]1
InChIInChI=1S/C16H23F2N3O2/c1-10-13(15(23)20-11(2)19-10)4-5-14(22)21(3)12-6-8-16(17,18)9-7-12/h12H,4-9H2,1-3H3,(H,19,20,23)
InChIKeyOKLASANPAMJVOU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.36
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide

N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide (PubChem CID 136542887) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide
PubChem CID136542887
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC NameN-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide
SMILESCc1nc(C)c(CCC(=O)N(C)C2CCC(F)(F)CC2)c(=O)[nH]1
InChIInChI=1S/C16H23F2N3O2/c1-10-13(15(23)20-11(2)19-10)4-5-14(22)21(3)12-6-8-16(17,18)9-7-12/h12H,4-9H2,1-3H3,(H,19,20,23)
InChIKeyOKLASANPAMJVOU-UHFFFAOYSA-N
XLogP2.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide (CID 136542887) is N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide is Cc1nc(C)c(CCC(=O)N(C)C2CCC(F)(F)CC2)c(=O)[nH]1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide?
The InChIKey is OKLASANPAMJVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-10-13(15(23)20-11(2)19-10)4-5-14(22)21(3)12-6-8-16(17,18)9-7-12/h12H,4-9H2,1-3H3,(H,19,20,23).
What are the key properties of N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide?
N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide has a molecular weight of 327.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide is sourced from PubChem (CID 136542887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).