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

C12H17N3O4 — CID 64927138

IUPACN-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCC1CCCCC1O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c16-9-4-2-1-3-7(9)6-13-11(18)8-5-10(17)15-12(19)14-8/h5,7,9,16H,1-4,6H2,(H,13,18)(H2,14,15,17,19)
InChIKeyHSGWAQVZNNQPFM-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.66
Rot. Bonds3

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

N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 64927138) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID64927138
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCC1CCCCC1O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c16-9-4-2-1-3-7(9)6-13-11(18)8-5-10(17)15-12(19)14-8/h5,7,9,16H,1-4,6H2,(H,13,18)(H2,14,15,17,19)
InChIKeyHSGWAQVZNNQPFM-UHFFFAOYSA-N
XLogP-0.66
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 64927138) is N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NCC1CCCCC1O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is HSGWAQVZNNQPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-9-4-2-1-3-7(9)6-13-11(18)8-5-10(17)15-12(19)14-8/h5,7,9,16H,1-4,6H2,(H,13,18)(H2,14,15,17,19).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -0.66, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 64927138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).