4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one

C10H14ClN3O2 — CID 114586571

IUPAC4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one
SMILESNC1CCCC(Oc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H14ClN3O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-2-6(12)4-7/h5-7H,1-4,12H2,(H,13,14,15)
InChIKeyPLTGSZOQIUMSIL-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.07
Rot. Bonds2

About 4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one

4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one (PubChem CID 114586571) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one
PubChem CID114586571
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one
SMILESNC1CCCC(Oc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H14ClN3O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-2-6(12)4-7/h5-7H,1-4,12H2,(H,13,14,15)
InChIKeyPLTGSZOQIUMSIL-UHFFFAOYSA-N
XLogP1.07
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 102729382
5-chloro-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113718819
4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586562
4-(3-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586572
4-(3-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586576
5-amino-4-(3-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586577
4-(3-aminocyclohexyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586579
4-(2-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586597
5-chloro-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 114675898

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one (CID 114586571) is 4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one is NC1CCCC(Oc2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one?
The InChIKey is PLTGSZOQIUMSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-2-6(12)4-7/h5-7H,1-4,12H2,(H,13,14,15).
What are the key properties of 4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one?
4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclohexyl)oxy-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 114586571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).