5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

C14H19BrN6 — CID 59758040

IUPAC5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C14H19BrN6/c1-8(2)6-16-14-17-7-10(15)13(19-14)18-12-5-11(20-21-12)9-3-4-9/h5,7-9H,3-4,6H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyXHAFAHJJGOGELZ-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.65
Rot. Bonds6

About 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 59758040) has the molecular formula C14H19BrN6 and a molecular weight of 351.25 g/mol. Its IUPAC name is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID59758040
Molecular FormulaC14H19BrN6
Molecular Weight351.25 g/mol
Exact Mass350.09
IUPAC Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C14H19BrN6/c1-8(2)6-16-14-17-7-10(15)13(19-14)18-12-5-11(20-21-12)9-3-4-9/h5,7-9H,3-4,6H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyXHAFAHJJGOGELZ-UHFFFAOYSA-N
XLogP3.65
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 59758040) is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is XHAFAHJJGOGELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6/c1-8(2)6-16-14-17-7-10(15)13(19-14)18-12-5-11(20-21-12)9-3-4-9/h5,7-9H,3-4,6H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 351.25 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59758040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).