N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide

C11H16N4O3 — CID 66758088

IUPACN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide
SMILESNc1nc(O)c(NC(=O)C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c12-11-14-9(17)7(10(18)15-11)13-8(16)6-4-2-1-3-5-6/h6H,1-5H2,(H,13,16)(H4,12,14,15,17,18)
InChIKeyLQFHSSUBTPUBKI-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.58
Rot. Bonds2

About N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide

N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide (PubChem CID 66758088) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide
PubChem CID66758088
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide
SMILESNc1nc(O)c(NC(=O)C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c12-11-14-9(17)7(10(18)15-11)13-8(16)6-4-2-1-3-5-6/h6H,1-5H2,(H,13,16)(H4,12,14,15,17,18)
InChIKeyLQFHSSUBTPUBKI-UHFFFAOYSA-N
XLogP0.58
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide (CID 66758088) is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide is Nc1nc(O)c(NC(=O)C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide?
The InChIKey is LQFHSSUBTPUBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-11-14-9(17)7(10(18)15-11)13-8(16)6-4-2-1-3-5-6/h6H,1-5H2,(H,13,16)(H4,12,14,15,17,18).
What are the key properties of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide?
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 66758088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).