4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine

C12H20N2 — CID 139475198

IUPAC4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1cnc(C(C)C)nc1C(C)(C)C
InChIInChI=1S/C12H20N2/c1-8(2)11-13-7-9(3)10(14-11)12(4,5)6/h7-8H,1-6H3
InChIKeyKDGLOTJJQVULSF-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.21
Rot. Bonds1

About 4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine

4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 139475198) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine
PubChem CID139475198
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1cnc(C(C)C)nc1C(C)(C)C
InChIInChI=1S/C12H20N2/c1-8(2)11-13-7-9(3)10(14-11)12(4,5)6/h7-8H,1-6H3
InChIKeyKDGLOTJJQVULSF-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-fluoro-5-methylpyrimidine
CID 146377566
2,4-ditert-butyl-5-methylpyrimidine;ethane
CID 154663505
5-tert-butyl-2,4-di(propan-2-yl)pyrimidine
CID 176827560
5-bromo-2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 82374751
2-tert-butyl-3-methyl-5-propan-2-ylpyridine
CID 134415008
2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine
CID 138536112
4,5-dichloro-2-propan-2-ylpyrimidine
CID 58333528
7-methyl-2-propan-2-ylthieno[3,2-d]pyrimidine
CID 172584396
6-methyl-2-propan-2-ylfuro[3,2-d]pyrimidine
CID 165165025
5,6,7,8-tetramethyl-2-propan-2-ylquinazoline
CID 134368400
5-bromo-3-tert-butyl-2-methylpyrazine
CID 118016282
5-chloro-2,4-di(propan-2-yl)pyrimidine
CID 121312283

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine (CID 139475198) is 4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine is Cc1cnc(C(C)C)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is KDGLOTJJQVULSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)11-13-7-9(3)10(14-11)12(4,5)6/h7-8H,1-6H3.
What are the key properties of 4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine?
4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 192.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 139475198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).