4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O3 — CID 136859480

IUPAC4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)C2CCCCC2O)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-15(8-5-3-4-6-9(8)16)11-10(18-2)12(17)14-7-13-11/h7-9,16H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyHWBQEDIUGZJHGA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.52
Rot. Bonds3

About 4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136859480) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136859480
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)C2CCCCC2O)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-15(8-5-3-4-6-9(8)16)11-10(18-2)12(17)14-7-13-11/h7-9,16H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyHWBQEDIUGZJHGA-UHFFFAOYSA-N
XLogP0.52
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136859480) is 4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(C)C2CCCCC2O)nc[nH]c1=O.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is HWBQEDIUGZJHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(8-5-3-4-6-9(8)16)11-10(18-2)12(17)14-7-13-11/h7-9,16H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of 4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136859480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).