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

C15H22BrN5 — CID 66305428

IUPAC5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccn(C)n2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H22BrN5/c1-6-8-17-14-11(16)12(15(2,3)4)18-13(19-14)10-7-9-21(5)20-10/h7,9H,6,8H2,1-5H3,(H,17,18,19)
InChIKeyCLGIRSIQPQVWGJ-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.76
Rot. Bonds4

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

5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 66305428) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
PubChem CID66305428
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC Name5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccn(C)n2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H22BrN5/c1-6-8-17-14-11(16)12(15(2,3)4)18-13(19-14)10-7-9-21(5)20-10/h7,9H,6,8H2,1-5H3,(H,17,18,19)
InChIKeyCLGIRSIQPQVWGJ-UHFFFAOYSA-N
XLogP3.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine (CID 66305428) is 5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccn(C)n2)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is CLGIRSIQPQVWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-6-8-17-14-11(16)12(15(2,3)4)18-13(19-14)10-7-9-21(5)20-10/h7,9H,6,8H2,1-5H3,(H,17,18,19).
What are the key properties of 5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 352.28 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66305428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).