4-tert-butyl-6-pyrimidin-2-ylpyrimidine

C12H14N4 — CID 162488354

IUPAC4-tert-butyl-6-pyrimidin-2-ylpyrimidine
SMILESCC(C)(C)c1cc(-c2ncccn2)ncn1
InChIInChI=1S/C12H14N4/c1-12(2,3)10-7-9(15-8-16-10)11-13-5-4-6-14-11/h4-8H,1-3H3
InChIKeyBXIPMOLCUFVYGJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.23
Rot. Bonds1

About 4-tert-butyl-6-pyrimidin-2-ylpyrimidine

4-tert-butyl-6-pyrimidin-2-ylpyrimidine (PubChem CID 162488354) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-tert-butyl-6-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-pyrimidin-2-ylpyrimidine
PubChem CID162488354
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-tert-butyl-6-pyrimidin-2-ylpyrimidine
SMILESCC(C)(C)c1cc(-c2ncccn2)ncn1
InChIInChI=1S/C12H14N4/c1-12(2,3)10-7-9(15-8-16-10)11-13-5-4-6-14-11/h4-8H,1-3H3
InChIKeyBXIPMOLCUFVYGJ-UHFFFAOYSA-N
XLogP2.23
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-pyridin-2-ylpyrimidin-4-yl)propan-2-amine
CID 83849094
2-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 166590913
4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 118230557
4-tert-butyl-6-(4-methanidyl-2-methyl-3-pyridinyl)pyrimidine;iridium
CID 158933592
CID 161497467
CID 161497467
4-[5-(3-ethylsulfonyl-6-pyrimidin-2-yl-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyrimidine
CID 135273661
2-methyl-4,6-di(pyrimidin-2-yl)pyrimidine
CID 118243269
2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine
CID 102082127
2-tert-butylpyridine;ethane;methane
CID 143332153
3-(6-tert-butylpyrimidin-4-yl)propan-1-amine
CID 83847400
6-tert-butyl-N-cyclopropylpyrimidin-4-amine
CID 126849020
3-(6-tert-butylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;iridium
CID 140929835

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-tert-butyl-6-pyrimidin-2-ylpyrimidine (CID 162488354) is 4-tert-butyl-6-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-tert-butyl-6-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-tert-butyl-6-pyrimidin-2-ylpyrimidine is CC(C)(C)c1cc(-c2ncccn2)ncn1.
What is the InChIKey of 4-tert-butyl-6-pyrimidin-2-ylpyrimidine?
The InChIKey is BXIPMOLCUFVYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-12(2,3)10-7-9(15-8-16-10)11-13-5-4-6-14-11/h4-8H,1-3H3.
What are the key properties of 4-tert-butyl-6-pyrimidin-2-ylpyrimidine?
4-tert-butyl-6-pyrimidin-2-ylpyrimidine has a molecular weight of 214.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 162488354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).