2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine

C34H58N8 — CID 157113326

IUPAC2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine
SMILESC.C.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)C.c1cnccn1
InChIInChI=1S/3C8H12N2.C4H4N2.C4H10.2CH4/c1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-2-6-4-3-5-1;1-4(2)3;;/h3*4-6H,1-3H3;1-4H;4H,1-3H3;2*1H4
InChIKeyAHCHWGBDNMYRGW-UHFFFAOYSA-N
MW578.89 g/mol
LogP8.73
Rot. Bonds

About 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine

2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine (PubChem CID 157113326) has the molecular formula C34H58N8 and a molecular weight of 578.89 g/mol. Its IUPAC name is 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine.

Molecular Properties

Compound Name2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine
PubChem CID157113326
Molecular FormulaC34H58N8
Molecular Weight578.89 g/mol
Exact Mass578.48
IUPAC Name2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine
SMILESC.C.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)C.c1cnccn1
InChIInChI=1S/3C8H12N2.C4H4N2.C4H10.2CH4/c1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-2-6-4-3-5-1;1-4(2)3;;/h3*4-6H,1-3H3;1-4H;4H,1-3H3;2*1H4
InChIKeyAHCHWGBDNMYRGW-UHFFFAOYSA-N
XLogP8.73
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.89
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine with MolForge

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Launch Full Analysis

Related Compounds

6-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028277
6-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028275
6-butyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028304
2,5-Dimethylpyrazine;2,5-dimethylpyrimidine;2-ethyl-5-methylpyrazine;5-fluoro-2-methylpyrimidine;2-methyl-5-propylpyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine
CID 159228328
Ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tetrakis(1,1,1-trifluoroethane)
CID 160927620
2,6-Dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine
CID 160979837
5-(1,1-Difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine
CID 162032937
5-Pyrazin-2-yl-2-pyridin-2-yl-4-pyridin-4-ylpyrimidine
CID 4178577
2,4,6-Tris(4-tert-butyl-2-pyridinyl)-1,3,5-triazine
CID 135021757
5-Pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine
CID 3262590
5-Pyrazin-2-yl-2,4-dipyridin-4-ylpyrimidine
CID 3628740
N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 95815242

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine?
The IUPAC name of 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine (CID 157113326) is 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine.
What is the SMILES notation for 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine?
The canonical SMILES for 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine is C.C.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)C.c1cnccn1.
What is the InChIKey of 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine?
The InChIKey is AHCHWGBDNMYRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H12N2.C4H4N2.C4H10.2CH4/c1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-2-6-4-3-5-1;1-4(2)3;;/h3*4-6H,1-3H3;1-4H;4H,1-3H3;2*1H4.
What are the key properties of 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine?
2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine has a molecular weight of 578.89 g/mol, XLogP of 8.73, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;methane;2-methylpropane;pyrazine is sourced from PubChem (CID 157113326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).