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

C15H22ClN5 — CID 80989029

IUPAC2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(-n2cc(Cl)c(C)n2)c1C
InChIInChI=1S/C15H22ClN5/c1-7-17-12-9(2)13(19-14(18-12)15(4,5)6)21-8-11(16)10(3)20-21/h8H,7H2,1-6H3,(H,17,18,19)
InChIKeyOLHVIWGQSGEXOT-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.66
Rot. Bonds3

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

2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80989029) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80989029
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(-n2cc(Cl)c(C)n2)c1C
InChIInChI=1S/C15H22ClN5/c1-7-17-12-9(2)13(19-14(18-12)15(4,5)6)21-8-11(16)10(3)20-21/h8H,7H2,1-6H3,(H,17,18,19)
InChIKeyOLHVIWGQSGEXOT-UHFFFAOYSA-N
XLogP3.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
CID 80991880
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80987495
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 80992025
6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965540
2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80987881
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
6-(4-bromopyrazol-1-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80853452
4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80840723
5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 66307012
2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 103463623

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine (CID 80989029) is 2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(-n2cc(Cl)c(C)n2)c1C.
What is the InChIKey of 2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is OLHVIWGQSGEXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5/c1-7-17-12-9(2)13(19-14(18-12)15(4,5)6)21-8-11(16)10(3)20-21/h8H,7H2,1-6H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine?
2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 307.83 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80989029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).