5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 106825679

IUPAC5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCC(CO)CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c12-9-10(16)13-6-14-11(9)17-8-3-1-7(5-15)2-4-8/h6-8,15H,1-5,12H2,(H,13,14,16)
InChIKeyMOGOJASYTSINME-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.28
Rot. Bonds3

About 5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one

5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one (PubChem CID 106825679) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
PubChem CID106825679
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCC(CO)CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c12-9-10(16)13-6-14-11(9)17-8-3-1-7(5-15)2-4-8/h6-8,15H,1-5,12H2,(H,13,14,16)
InChIKeyMOGOJASYTSINME-UHFFFAOYSA-N
XLogP0.28
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one (CID 106825679) is 5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one is Nc1c(OC2CCC(CO)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The InChIKey is MOGOJASYTSINME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-9-10(16)13-6-14-11(9)17-8-3-1-7(5-15)2-4-8/h6-8,15H,1-5,12H2,(H,13,14,16).
What are the key properties of 5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 106825679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).