4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 102634235

IUPAC4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-9(2)14-16-12(18)8-13(17-14)19-11-7-5-4-6-10(11)15-3/h8-11,15H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyMGGSYFFRLZGAFK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.80
Rot. Bonds4

About 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 102634235) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID102634235
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-9(2)14-16-12(18)8-13(17-14)19-11-7-5-4-6-10(11)15-3/h8-11,15H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyMGGSYFFRLZGAFK-UHFFFAOYSA-N
XLogP1.80
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634633
2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634714
4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102729342
4-(4-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 102729350
4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 102729381
4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240542
2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241697
2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241700
4-[(1-methylpiperidin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241704
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638
4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 104939639

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 102634235) is 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one is CNC1CCCCC1Oc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MGGSYFFRLZGAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)14-16-12(18)8-13(17-14)19-11-7-5-4-6-10(11)15-3/h8-11,15H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 102634235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).