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

C10H14BrN3O2 — CID 102729376

IUPAC4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
SMILESNC1CCC(Oc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C10H14BrN3O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-6(12)2-4-7/h5-7H,1-4,12H2,(H,13,14,15)
InChIKeyIXXZVFCUKQFREQ-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.18
Rot. Bonds2

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

4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one (PubChem CID 102729376) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
PubChem CID102729376
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
SMILESNC1CCC(Oc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C10H14BrN3O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-6(12)2-4-7/h5-7H,1-4,12H2,(H,13,14,15)
InChIKeyIXXZVFCUKQFREQ-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-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634696
4-(4-aminocyclohexyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 102729351
5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 102729357
4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 102729370
4-(4-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 102729382
4-(3-aminocyclopentyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586567
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-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586602
5-bromo-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 114675900
5-bromo-4-[(4-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136695136
4-[2-(4-aminocyclohexyl)oxyethylamino]-5-bromo-1H-pyrimidin-6-one
CID 136978202

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one (CID 102729376) is 4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one is NC1CCC(Oc2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one?
The InChIKey is IXXZVFCUKQFREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-6(12)2-4-7/h5-7H,1-4,12H2,(H,13,14,15).
What are the key properties of 4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one?
4-(4-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-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 102729376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).