4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine

C13H20N2O2 — CID 58044561

IUPAC4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine
SMILESCC(C)CCOc1nccc(OCC2CC2)n1
InChIInChI=1S/C13H20N2O2/c1-10(2)6-8-16-13-14-7-5-12(15-13)17-9-11-3-4-11/h5,7,10-11H,3-4,6,8-9H2,1-2H3
InChIKeyVOGZJFRJXZLBBG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.69
Rot. Bonds7

About 4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine

4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine (PubChem CID 58044561) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine
PubChem CID58044561
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine
SMILESCC(C)CCOc1nccc(OCC2CC2)n1
InChIInChI=1S/C13H20N2O2/c1-10(2)6-8-16-13-14-7-5-12(15-13)17-9-11-3-4-11/h5,7,10-11H,3-4,6,8-9H2,1-2H3
InChIKeyVOGZJFRJXZLBBG-UHFFFAOYSA-N
XLogP2.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethoxypyrimidine
CID 137976
Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
4-Methoxy-2-pyrimidinamine
CID 67428
4-Methoxy-N-methyl-2-pyrimidinamine
CID 23422138
4-Methoxy-2-methylpyrimidine
CID 535905
[1-[(2-Aminopyrimidin-4-yl)oxymethyl]cyclopropyl]methanol
CID 122536304
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
2-Chloro-4-methoxypyrimidine
CID 588935
2-Fluoro-4-methoxypyrimidine
CID 21791027
2,4-Diethoxypyrimidine
CID 224854
4-Methoxypyrimidine
CID 303830
Pyrimidine, 2-amino-4-(2-dibutylaminoethoxy)-
CID 3025151

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine?
The IUPAC name of 4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine (CID 58044561) is 4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine?
The canonical SMILES for 4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine is CC(C)CCOc1nccc(OCC2CC2)n1.
What is the InChIKey of 4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine?
The InChIKey is VOGZJFRJXZLBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)6-8-16-13-14-7-5-12(15-13)17-9-11-3-4-11/h5,7,10-11H,3-4,6,8-9H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine?
4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine has a molecular weight of 236.31 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2-(3-methylbutoxy)pyrimidine is sourced from PubChem (CID 58044561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).