5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine

C13H20N2O3S — CID 169030966

IUPAC5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine
SMILESCC(C)CCOc1cnc(C2(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)4-7-18-11-8-14-12(15-9-11)13(5-6-13)19(3,16)17/h8-10H,4-7H2,1-3H3
InChIKeyWUAMKBQLBAQLPY-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.94
Rot. Bonds6

About 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine

5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine (PubChem CID 169030966) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine
PubChem CID169030966
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine
SMILESCC(C)CCOc1cnc(C2(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)4-7-18-11-8-14-12(15-9-11)13(5-6-13)19(3,16)17/h8-10H,4-7H2,1-3H3
InChIKeyWUAMKBQLBAQLPY-UHFFFAOYSA-N
XLogP1.94
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine 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

2-[5-(3-methylbutoxy)pyrimidin-2-yl]ethanol
CID 168997935
2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol
CID 168998496
3-[4-(3-methylbutoxy)-2-(trifluoromethyl)phenyl]-3-methylsulfonyloxetane
CID 168997080
4-(3-methylbutoxy)benzenesulfonyl fluoride
CID 165461294
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275
1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene
CID 168996646
1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one
CID 169030888
2-methyl-5-(3-methylbutoxy)pyrazine
CID 176962198
methyl-[4-(3-methylbutoxy)phenyl]iodanium
CID 168795737
2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine
CID 170062502
[4-(3-methylbutoxy)phenyl] formate
CID 54338269
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine?
The IUPAC name of 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine (CID 169030966) is 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine.
What is the SMILES notation for 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine?
The canonical SMILES for 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine is CC(C)CCOc1cnc(C2(S(C)(=O)=O)CC2)nc1.
What is the InChIKey of 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine?
The InChIKey is WUAMKBQLBAQLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)4-7-18-11-8-14-12(15-9-11)13(5-6-13)19(3,16)17/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine?
5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine has a molecular weight of 284.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine is sourced from PubChem (CID 169030966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).