N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide

C11H15F2N3O — CID 140574616

IUPACN-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)N1C=CC=NC1
InChIInChI=1S/C11H15F2N3O/c12-11(13)4-2-9(3-5-11)15-10(17)16-7-1-6-14-8-16/h1,6-7,9H,2-5,8H2,(H,15,17)
InChIKeyNLDZRBGLZCQTIA-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.13
Rot. Bonds1

About N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide

N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide (PubChem CID 140574616) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide
PubChem CID140574616
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC NameN-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)N1C=CC=NC1
InChIInChI=1S/C11H15F2N3O/c12-11(13)4-2-9(3-5-11)15-10(17)16-7-1-6-14-8-16/h1,6-7,9H,2-5,8H2,(H,15,17)
InChIKeyNLDZRBGLZCQTIA-UHFFFAOYSA-N
XLogP2.13
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one
CID 43753202
N-cyclohexyl-2H-pyrimidine-1-carboxamide
CID 140574592
1-[2-(Cyclohexylamino)ethyl]pyrimidin-2-one
CID 62562766
1-[3-(Cyclohexylamino)propyl]pyrimidin-2-one
CID 62564493
1-(3-Aminocyclohexyl)pyrimidin-2-one
CID 84014546
1-(2-Aminocyclohexyl)pyrimidin-2-one
CID 84014547
1-(4-Aminocyclohexyl)pyrimidin-2-one
CID 84014548

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide (CID 140574616) is N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide is O=C(NC1CCC(F)(F)CC1)N1C=CC=NC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide?
The InChIKey is NLDZRBGLZCQTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-11(13)4-2-9(3-5-11)15-10(17)16-7-1-6-14-8-16/h1,6-7,9H,2-5,8H2,(H,15,17).
What are the key properties of N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide?
N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide has a molecular weight of 243.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 140574616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).