2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C14H21N3O2 — CID 136821998

IUPAC2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C14H21N3O2/c1-19-9-10-3-2-6-17(8-10)12-7-13(18)16-14(15-12)11-4-5-11/h7,10-11H,2-6,8-9H2,1H3,(H,15,16,18)
InChIKeyRRWZZLMUZKYFPD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.51
Rot. Bonds4

About 2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136821998) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136821998
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C14H21N3O2/c1-19-9-10-3-2-6-17(8-10)12-7-13(18)16-14(15-12)11-4-5-11/h7,10-11H,2-6,8-9H2,1H3,(H,15,16,18)
InChIKeyRRWZZLMUZKYFPD-UHFFFAOYSA-N
XLogP1.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137009758
4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136822001
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 136959028
2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 137008986
4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972628
methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 137007527
2-cyclopropyl-4-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007807
2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137009710

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136821998) is 2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is COCC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is RRWZZLMUZKYFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-9-10-3-2-6-17(8-10)12-7-13(18)16-14(15-12)11-4-5-11/h7,10-11H,2-6,8-9H2,1H3,(H,15,16,18).
What are the key properties of 2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136821998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).