N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C12H17N3O4 — CID 163309885

IUPACN-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOC1CCC(NC(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O4/c1-19-8-4-2-7(3-5-8)14-10(16)9-6-13-12(18)15-11(9)17/h6-8H,2-5H2,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeySLXCNPNNTAMEOU-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.25
Rot. Bonds3

About N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 163309885) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID163309885
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOC1CCC(NC(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O4/c1-19-8-4-2-7(3-5-8)14-10(16)9-6-13-12(18)15-11(9)17/h6-8H,2-5H2,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeySLXCNPNNTAMEOU-UHFFFAOYSA-N
XLogP-0.25
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 163309885) is N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COC1CCC(NC(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SLXCNPNNTAMEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-8-4-2-7(3-5-8)14-10(16)9-6-13-12(18)15-11(9)17/h6-8H,2-5H2,1H3,(H,14,16)(H2,13,15,17,18).
What are the key properties of N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 163309885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).