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

C15H22BrN5 — CID 83084574

IUPAC5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cn(C)nc2C(C)(C)C)nc(NC)c1Br
InChIInChI=1S/C15H22BrN5/c1-7-10-11(16)14(17-5)19-13(18-10)9-8-21(6)20-12(9)15(2,3)4/h8H,7H2,1-6H3,(H,17,18,19)
InChIKeyZCYUWMJYBCZJON-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.54
Rot. Bonds3

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

5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 83084574) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID83084574
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC Name5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cn(C)nc2C(C)(C)C)nc(NC)c1Br
InChIInChI=1S/C15H22BrN5/c1-7-10-11(16)14(17-5)19-13(18-10)9-8-21(6)20-12(9)15(2,3)4/h8H,7H2,1-6H3,(H,17,18,19)
InChIKeyZCYUWMJYBCZJON-UHFFFAOYSA-N
XLogP3.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
US9932325, Example 141
CID 132244713
6-isopropyl-N~4~-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}pyrimidine-2,4-diamine
CID 72866942
6-isopropyl-N-[3-(3-methyl-1H-pyrazol-1-yl)propyl]pyrimidin-4-amine
CID 72926999
5-ethyl-N~4~-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 72856128
5-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 72877267
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-5,6-dimethylpyrimidin-4-amine
CID 72890352
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 86804325
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 103880468
4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 126450890
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine
CID 126452125
2-(4-bromopyrazol-1-yl)-N-[(2,4-dimethylpyrimidin-5-yl)methyl]ethanamine
CID 132390681

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine (CID 83084574) is 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine is CCc1nc(-c2cn(C)nc2C(C)(C)C)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is ZCYUWMJYBCZJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-7-10-11(16)14(17-5)19-13(18-10)9-8-21(6)20-12(9)15(2,3)4/h8H,7H2,1-6H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine?
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 352.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 83084574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).