2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one

C12H18N2O2 — CID 103240606

IUPAC2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one
SMILESCC(C)CCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H18N2O2/c1-8(2)5-6-16-11-7-10(15)13-12(14-11)9-3-4-9/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGNBOLJHPDPEZAK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.07
Rot. Bonds5

About 2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one (PubChem CID 103240606) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one
PubChem CID103240606
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one
SMILESCC(C)CCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H18N2O2/c1-8(2)5-6-16-11-7-10(15)13-12(14-11)9-3-4-9/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGNBOLJHPDPEZAK-UHFFFAOYSA-N
XLogP2.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one
CID 134556313
4-(cyclopropylmethoxy)-2-ethyl-5-fluoro-1H-pyrimidin-6-one
CID 134559282
2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one
CID 139460569
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240545
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554
2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241786
2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241902
4-(2,2-difluoroethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241909
2-cyclopropyl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792801
2-propan-2-yl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792803

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one (CID 103240606) is 2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one is CC(C)CCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one?
The InChIKey is GNBOLJHPDPEZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)5-6-16-11-7-10(15)13-12(14-11)9-3-4-9/h7-9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).