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

C14H23N3O2 — CID 137017909

IUPAC2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(CNC)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-19-14(7-5-4-6-8-14)13-16-11(10-15-2)9-12(18)17-13/h9,15H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyJBEXBLSFBTWKFZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.69
Rot. Bonds5

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

2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 137017909) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID137017909
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(CNC)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-19-14(7-5-4-6-8-14)13-16-11(10-15-2)9-12(18)17-13/h9,15H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyJBEXBLSFBTWKFZ-UHFFFAOYSA-N
XLogP1.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136963559
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963776
2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 137017949
2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963627
2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136965435
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963634
4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136960396
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
2-(1-ethoxycycloheptyl)-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964013
2-(1-ethoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475213
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one (CID 137017909) is 2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one is CCOC1(c2nc(CNC)cc(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is JBEXBLSFBTWKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-14(7-5-4-6-8-14)13-16-11(10-15-2)9-12(18)17-13/h9,15H,3-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137017909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).