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

C14H21N3O2 — CID 102634714

IUPAC2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H21N3O2/c1-15-10-4-2-3-5-11(10)19-13-8-12(18)16-14(17-13)9-6-7-9/h8-11,15H,2-7H2,1H3,(H,16,17,18)
InChIKeyHIFOPDAKIACWLJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds4

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

2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one (PubChem CID 102634714) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
PubChem CID102634714
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H21N3O2/c1-15-10-4-2-3-5-11(10)19-13-8-12(18)16-14(17-13)9-6-7-9/h8-11,15H,2-7H2,1H3,(H,16,17,18)
InChIKeyHIFOPDAKIACWLJ-UHFFFAOYSA-N
XLogP1.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634235
4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634633
4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102729342
4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 102729381
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240532
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
4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 104939639
2-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 113604862
4-piperidin-3-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604870

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one (CID 102634714) is 2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one is CNC1CCCCC1Oc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The InChIKey is HIFOPDAKIACWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-10-4-2-3-5-11(10)19-13-8-12(18)16-14(17-13)9-6-7-9/h8-11,15H,2-7H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102634714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).