4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one

C11H16ClN3O2 — CID 114586468

IUPAC4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one
SMILESNC1(COc2nc[nH]c(=O)c2Cl)CCCCC1
InChIInChI=1S/C11H16ClN3O2/c12-8-9(16)14-7-15-10(8)17-6-11(13)4-2-1-3-5-11/h7H,1-6,13H2,(H,14,15,16)
InChIKeyUETRGFFNUUNBQV-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.46
Rot. Bonds3

About 4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one

4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one (PubChem CID 114586468) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one
PubChem CID114586468
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one
SMILESNC1(COc2nc[nH]c(=O)c2Cl)CCCCC1
InChIInChI=1S/C11H16ClN3O2/c12-8-9(16)14-7-15-10(8)17-6-11(13)4-2-1-3-5-11/h7H,1-6,13H2,(H,14,15,16)
InChIKeyUETRGFFNUUNBQV-UHFFFAOYSA-N
XLogP1.46
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one (CID 114586468) is 4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one is NC1(COc2nc[nH]c(=O)c2Cl)CCCCC1.
What is the InChIKey of 4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is UETRGFFNUUNBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-8-9(16)14-7-15-10(8)17-6-11(13)4-2-1-3-5-11/h7H,1-6,13H2,(H,14,15,16).
What are the key properties of 4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one?
4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 114586468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).