2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine

C12H16N4O — CID 171129761

IUPAC2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine
SMILESCOc1cc(-n2cccn2)nc(C(C)(C)C)n1
InChIInChI=1S/C12H16N4O/c1-12(2,3)11-14-9(8-10(15-11)17-4)16-7-5-6-13-16/h5-8H,1-4H3
InChIKeyPTRHILHDIWQDEL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.97
Rot. Bonds2

About 2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine

2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine (PubChem CID 171129761) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine
PubChem CID171129761
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine
SMILESCOc1cc(-n2cccn2)nc(C(C)(C)C)n1
InChIInChI=1S/C12H16N4O/c1-12(2,3)11-14-9(8-10(15-11)17-4)16-7-5-6-13-16/h5-8H,1-4H3
InChIKeyPTRHILHDIWQDEL-UHFFFAOYSA-N
XLogP1.97
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethoxy-6-pyrazol-1-ylpyrimidine
CID 10702836
6-Bromo-2-methoxypyrazolo[1,5-a]pyrimidine
CID 126838623
4-Methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 36784649
4-ethoxy-N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 50959180
4-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 53623653
4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 122566345
4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
CID 129487663
5-Fluoro-4-prop-2-ynoxy-6-pyrazol-1-ylpyrimidine
CID 57538954
2-(2-Ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-amine
CID 57818674
5-(3-Methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 122532992
4-Fluoro-6-methoxy-2-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine
CID 156415005
N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine
CID 163746878

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine (CID 171129761) is 2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine is COc1cc(-n2cccn2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine?
The InChIKey is PTRHILHDIWQDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,3)11-14-9(8-10(15-11)17-4)16-7-5-6-13-16/h5-8H,1-4H3.
What are the key properties of 2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine?
2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine has a molecular weight of 232.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxy-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 171129761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).