4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 136960393

IUPAC4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(N)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H19N3O2/c1-2-17-12(6-4-3-5-7-12)11-14-9(13)8-10(16)15-11/h8H,2-7H2,1H3,(H3,13,14,15,16)
InChIKeySTPANQAVAMVQSX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.55
Rot. Bonds3

About 4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one

4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one (PubChem CID 136960393) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
PubChem CID136960393
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(N)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H19N3O2/c1-2-17-12(6-4-3-5-7-12)11-14-9(13)8-10(16)15-11/h8H,2-7H2,1H3,(H3,13,14,15,16)
InChIKeySTPANQAVAMVQSX-UHFFFAOYSA-N
XLogP1.55
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983390
2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983392
2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80690677
4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559530
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559532
4-hydroxy-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559533
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one (CID 136960393) is 4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one is CCOC1(c2nc(N)cc(=O)[nH]2)CCCCC1.
What is the InChIKey of 4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is STPANQAVAMVQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-12(6-4-3-5-7-12)11-14-9(13)8-10(16)15-11/h8H,2-7H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136960393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).