N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H15N3O4 — CID 43389241

IUPACN-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c15-7-3-1-6(2-4-7)12-10(17)8-5-9(16)14-11(18)13-8/h5-7,15H,1-4H2,(H,12,17)(H2,13,14,16,18)
InChIKeyQPLCUHZKCDHSTB-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.90
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 43389241) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID43389241
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c15-7-3-1-6(2-4-7)12-10(17)8-5-9(16)14-11(18)13-8/h5-7,15H,1-4H2,(H,12,17)(H2,13,14,16,18)
InChIKeyQPLCUHZKCDHSTB-UHFFFAOYSA-N
XLogP-0.90
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 43389241) is N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NC1CCC(O)CC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is QPLCUHZKCDHSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-7-3-1-6(2-4-7)12-10(17)8-5-9(16)14-11(18)13-8/h5-7,15H,1-4H2,(H,12,17)(H2,13,14,16,18).
What are the key properties of N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 253.26 g/mol, XLogP of -0.90, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 43389241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).