2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C14H21N3O2 — CID 136716213

IUPAC2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C14H21N3O2/c1-14(19-2)6-3-7-17(9-14)11-8-12(18)16-13(15-11)10-4-5-10/h8,10H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyFOXBNPIOZDVLNI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.65
Rot. Bonds3

About 2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136716213) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136716213
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C14H21N3O2/c1-14(19-2)6-3-7-17(9-14)11-8-12(18)16-13(15-11)10-4-5-10/h8,10H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyFOXBNPIOZDVLNI-UHFFFAOYSA-N
XLogP1.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136716213) is 2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COC1(C)CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is FOXBNPIOZDVLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(19-2)6-3-7-17(9-14)11-8-12(18)16-13(15-11)10-4-5-10/h8,10H,3-7,9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136716213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).