2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine

C15H23N5 — CID 83090085

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2cn(C)nc2C(C)(C)C)nc1N
InChIInChI=1S/C15H23N5/c1-7-10-9(2)17-14(18-13(10)16)11-8-20(6)19-12(11)15(3,4)5/h8H,7H2,1-6H3,(H2,16,17,18)
InChIKeyYMXADNAONJCPLR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine

2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine (PubChem CID 83090085) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine
PubChem CID83090085
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2cn(C)nc2C(C)(C)C)nc1N
InChIInChI=1S/C15H23N5/c1-7-10-9(2)17-14(18-13(10)16)11-8-20(6)19-12(11)15(3,4)5/h8H,7H2,1-6H3,(H2,16,17,18)
InChIKeyYMXADNAONJCPLR-UHFFFAOYSA-N
XLogP2.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 83085350
2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 83094218
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 83094484
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 83084574
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-4,6-dichloropyrimidine
CID 83091448
5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 112671013
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 83091370
5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984854
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62203510
3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 58157464
5-ethyl-6-methyl-2-naphthalen-2-ylpyrimidin-4-amine
CID 62202110
ethyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 83091333

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine (CID 83090085) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine is CCc1c(C)nc(-c2cn(C)nc2C(C)(C)C)nc1N.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is YMXADNAONJCPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-7-10-9(2)17-14(18-13(10)16)11-8-20(6)19-12(11)15(3,4)5/h8H,7H2,1-6H3,(H2,16,17,18).
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 83090085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).