4-(2-methylpropyl)pyrimidine

C8H12N2 — CID 565104

IUPAC4-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ccncn1
InChIInChI=1S/C8H12N2/c1-7(2)5-8-3-4-9-6-10-8/h3-4,6-7H,5H2,1-2H3
InChIKeyFJQBYVHWRHVOLQ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.68
Rot. Bonds2

About 4-(2-methylpropyl)pyrimidine

4-(2-methylpropyl)pyrimidine (PubChem CID 565104) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-(2-methylpropyl)pyrimidine
PubChem CID565104
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ccncn1
InChIInChI=1S/C8H12N2/c1-7(2)5-8-3-4-9-6-10-8/h3-4,6-7H,5H2,1-2H3
InChIKeyFJQBYVHWRHVOLQ-UHFFFAOYSA-N
XLogP1.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylpyrimidine
CID 18922
4-tert-Butylpyrimidin-2-amine
CID 12450631
4-Amino-6-(tert-butyl)pyrimidine
CID 713744
Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
CID 78154
4-(3,3-Dimethylbutyl)-5-methylpyrimidin-2-amine
CID 122516777
2-Methyl-5,6-cyclopentapyrimidine
CID 160264
4-Tert-butyl-2-chloropyrimidine
CID 12450625
5,6,7,8-Tetrahydroquinazoline
CID 637537
5-Bromo-4-(tert-butyl)pyrimidine
CID 12461862
2-(Pyrimidin-4-yl)acetonitrile
CID 14169572
5H,6H,7H,8H,9H-cyclohepta(d)pyrimidin-2-amine
CID 63547880
4-Chloro-6-(propan-2-yl)pyrimidine
CID 22308480

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-(2-methylpropyl)pyrimidine (CID 565104) is 4-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-(2-methylpropyl)pyrimidine is CC(C)Cc1ccncn1.
What is the InChIKey of 4-(2-methylpropyl)pyrimidine?
The InChIKey is FJQBYVHWRHVOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(2)5-8-3-4-9-6-10-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)pyrimidine?
4-(2-methylpropyl)pyrimidine has a molecular weight of 136.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 565104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).