4-cyclopropyl-2-(2-methylpropyl)pyrimidine

C11H16N2 — CID 70659268

IUPAC4-cyclopropyl-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nccc(C2CC2)n1
InChIInChI=1S/C11H16N2/c1-8(2)7-11-12-6-5-10(13-11)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyDIHUHMRYTSEIKM-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.55
Rot. Bonds3

About 4-cyclopropyl-2-(2-methylpropyl)pyrimidine

4-cyclopropyl-2-(2-methylpropyl)pyrimidine (PubChem CID 70659268) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-methylpropyl)pyrimidine
PubChem CID70659268
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-cyclopropyl-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nccc(C2CC2)n1
InChIInChI=1S/C11H16N2/c1-8(2)7-11-12-6-5-10(13-11)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyDIHUHMRYTSEIKM-UHFFFAOYSA-N
XLogP2.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(2-methylpropyl)pyrimidine (CID 70659268) is 4-cyclopropyl-2-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(2-methylpropyl)pyrimidine is CC(C)Cc1nccc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-(2-methylpropyl)pyrimidine?
The InChIKey is DIHUHMRYTSEIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)7-11-12-6-5-10(13-11)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(2-methylpropyl)pyrimidine?
4-cyclopropyl-2-(2-methylpropyl)pyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 70659268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).