N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide

C11H14FN3O3 — CID 70630553

IUPACN-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C11H14FN3O3/c12-8-6-13-10(17)15(9(8)16)11(18)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,17)(H,14,18)
InChIKeyMLUQQAKSVHRHHF-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.57
Rot. Bonds1

About N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide

N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide (PubChem CID 70630553) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide
PubChem CID70630553
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC NameN-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C11H14FN3O3/c12-8-6-13-10(17)15(9(8)16)11(18)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,17)(H,14,18)
InChIKeyMLUQQAKSVHRHHF-UHFFFAOYSA-N
XLogP0.57
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Carmofur
CID 2577
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-octyl-2,4-dioxo-
CID 116543
6-(Cyclohexylamino)pyrimidine-2,4(1H,3H)-dione
CID 308641
6-Cyclohexylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 777234
5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654966
3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654968
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-(1-methylethyl)-2,4-dioxo-
CID 151528
1-Cyclohexyluracil
CID 96505
1-Cyclopentyl-5-fluoropyrimidine-2,4-dione
CID 10352697
2,4(1h,3h)-Pyrimidinedione, 5-(cyclohexylamino)-
CID 255373
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-2,4-dioxo-N-propyl-
CID 149039
1-Butylcarbamoyl-5-fluorouracil
CID 116542

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide (CID 70630553) is N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide is O=C(NC1CCCCC1)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide?
The InChIKey is MLUQQAKSVHRHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c12-8-6-13-10(17)15(9(8)16)11(18)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,17)(H,14,18).
What are the key properties of N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide?
N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide has a molecular weight of 255.25 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide is sourced from PubChem (CID 70630553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).