4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one

C10H14BrN3O2 — CID 114586602

IUPAC4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
SMILESNC1CCCCC1Oc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3O2/c11-8-9(15)13-5-14-10(8)16-7-4-2-1-3-6(7)12/h5-7H,1-4,12H2,(H,13,14,15)
InChIKeySNGYNTJFFCGHPX-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.18
Rot. Bonds2

About 4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one

4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one (PubChem CID 114586602) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
PubChem CID114586602
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
SMILESNC1CCCCC1Oc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3O2/c11-8-9(15)13-5-14-10(8)16-7-4-2-1-3-6(7)12/h5-7H,1-4,12H2,(H,13,14,15)
InChIKeySNGYNTJFFCGHPX-UHFFFAOYSA-N
XLogP1.18
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634366
4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634633
5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634696
5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634780
4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 102729376
5-bromo-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586421
4-(3-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586576
4-(2-aminocycloheptyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586585
4-(2-aminocyclopentyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586593
4-(2-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586597
4-(2-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586598
4-(2-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586601

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one (CID 114586602) is 4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one is NC1CCCCC1Oc1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one?
The InChIKey is SNGYNTJFFCGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-8-9(15)13-5-14-10(8)16-7-4-2-1-3-6(7)12/h5-7H,1-4,12H2,(H,13,14,15).
What are the key properties of 4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one?
4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one has a molecular weight of 288.14 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).