5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

C15H16BrN7 — CID 56973548

IUPAC5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NCCc3cccnc3)ncc2Br)n[nH]1
InChIInChI=1S/C15H16BrN7/c1-10-7-13(23-22-10)20-14-12(16)9-19-15(21-14)18-6-4-11-3-2-5-17-8-11/h2-3,5,7-9H,4,6H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyUOHJGIQDKUHCQV-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.06
Rot. Bonds6

About 5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine (PubChem CID 56973548) has the molecular formula C15H16BrN7 and a molecular weight of 374.25 g/mol. Its IUPAC name is 5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
PubChem CID56973548
Molecular FormulaC15H16BrN7
Molecular Weight374.25 g/mol
Exact Mass373.07
IUPAC Name5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NCCc3cccnc3)ncc2Br)n[nH]1
InChIInChI=1S/C15H16BrN7/c1-10-7-13(23-22-10)20-14-12(16)9-19-15(21-14)18-6-4-11-3-2-5-17-8-11/h2-3,5,7-9H,4,6H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyUOHJGIQDKUHCQV-UHFFFAOYSA-N
XLogP3.06
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine (CID 56973548) is 5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2nc(NCCc3cccnc3)ncc2Br)n[nH]1.
What is the InChIKey of 5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is UOHJGIQDKUHCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN7/c1-10-7-13(23-22-10)20-14-12(16)9-19-15(21-14)18-6-4-11-3-2-5-17-8-11/h2-3,5,7-9H,4,6H2,1H3,(H3,18,19,20,21,22,23).
What are the key properties of 5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 374.25 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 56973548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).