4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136973548

IUPAC4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCC(O)CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-17-9-10(12-6-13-11(9)16)14-7-2-4-8(15)5-3-7/h6-8,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyHZPQJGGIVWPLOF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.49
Rot. Bonds3

About 4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136973548) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136973548
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCC(O)CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-17-9-10(12-6-13-11(9)16)14-7-2-4-8(15)5-3-7/h6-8,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyHZPQJGGIVWPLOF-UHFFFAOYSA-N
XLogP0.49
TPSA87.24 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 ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634780
4-(4-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604877
4-(2-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586601
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
4-[[2-(hydroxymethyl)cyclohexyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136746831
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136823136
4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136859480
4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136866830
4-(4-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136902413
4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973478

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136973548) is 4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2CCC(O)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is HZPQJGGIVWPLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-9-10(12-6-13-11(9)16)14-7-2-4-8(15)5-3-7/h6-8,15H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136973548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).