N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C14H19F2N3O3 — CID 167789182

IUPACN-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOC1(CNC(=O)c2cc(=O)[nH]cn2)CCC(C(F)F)CC1
InChIInChI=1S/C14H19F2N3O3/c1-22-14(4-2-9(3-5-14)12(15)16)7-17-13(21)10-6-11(20)19-8-18-10/h6,8-9,12H,2-5,7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyPPEFNXFWIDWAFF-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.34
Rot. Bonds5

About N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 167789182) has the molecular formula C14H19F2N3O3 and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID167789182
Molecular FormulaC14H19F2N3O3
Molecular Weight315.32 g/mol
Exact Mass315.14
IUPAC NameN-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOC1(CNC(=O)c2cc(=O)[nH]cn2)CCC(C(F)F)CC1
InChIInChI=1S/C14H19F2N3O3/c1-22-14(4-2-9(3-5-14)12(15)16)7-17-13(21)10-6-11(20)19-8-18-10/h6,8-9,12H,2-5,7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyPPEFNXFWIDWAFF-UHFFFAOYSA-N
XLogP1.34
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 167789182) is N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide is COC1(CNC(=O)c2cc(=O)[nH]cn2)CCC(C(F)F)CC1.
What is the InChIKey of N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is PPEFNXFWIDWAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O3/c1-22-14(4-2-9(3-5-14)12(15)16)7-17-13(21)10-6-11(20)19-8-18-10/h6,8-9,12H,2-5,7H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 167789182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).