4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine

C12H18N2O — CID 163670152

IUPAC4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine
SMILESCC(C)(C)COc1nccc(C2CC2)n1
InChIInChI=1S/C12H18N2O/c1-12(2,3)8-15-11-13-7-6-10(14-11)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3
InChIKeyHSECJDFNUIEQOX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.78
Rot. Bonds3

About 4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine

4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine (PubChem CID 163670152) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine
PubChem CID163670152
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine
SMILESCC(C)(C)COc1nccc(C2CC2)n1
InChIInChI=1S/C12H18N2O/c1-12(2,3)8-15-11-13-7-6-10(14-11)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3
InChIKeyHSECJDFNUIEQOX-UHFFFAOYSA-N
XLogP2.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine
CID 71000767
2-tert-butyl-4-cyclopropylpyrimidine
CID 58088107
4-cyclopropyl-2-(2-methylpropyl)pyrimidine
CID 70659268
2-(4-cyclobutylpyrimidin-2-yl)propan-2-amine
CID 116897705
N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine
CID 83830250
N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
CID 63318876
methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate
CID 116901356
(4-cyclopentylpyrimidin-2-yl)methanol
CID 116899510
4-(2-methylpyrimidin-4-yl)cyclohexan-1-ol
CID 139330455
2-(6-cyclopropyl-2-pyridinyl)propan-2-amine
CID 58129507
4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342953
ethyl 4-(2-methylpyrimidin-4-yl)cyclohexane-1-carboxylate
CID 58484998

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine (CID 163670152) is 4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine is CC(C)(C)COc1nccc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine?
The InChIKey is HSECJDFNUIEQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)8-15-11-13-7-6-10(14-11)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine?
4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine has a molecular weight of 206.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,2-dimethylpropoxy)pyrimidine is sourced from PubChem (CID 163670152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).