2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile

C14H10BrN7 — CID 169398352

IUPAC2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C14H10BrN7/c15-8-6-19-22(7-8)11-4-2-1-3-9(11)12-10(5-16)13(17)21-14(18)20-12/h1-4,6-7H,(H4,17,18,20,21)
InChIKeyFNJFNUWQQVCNJP-UHFFFAOYSA-N
MW356.19 g/mol
LogP2.13
Rot. Bonds2

About 2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile

2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile (PubChem CID 169398352) has the molecular formula C14H10BrN7 and a molecular weight of 356.19 g/mol. Its IUPAC name is 2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile
PubChem CID169398352
Molecular FormulaC14H10BrN7
Molecular Weight356.19 g/mol
Exact Mass355.02
IUPAC Name2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C14H10BrN7/c15-8-6-19-22(7-8)11-4-2-1-3-9(11)12-10(5-16)13(17)21-14(18)20-12/h1-4,6-7H,(H4,17,18,20,21)
InChIKeyFNJFNUWQQVCNJP-UHFFFAOYSA-N
XLogP2.13
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile (CID 169398352) is 2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccccc1-n1cc(Br)cn1.
What is the InChIKey of 2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is FNJFNUWQQVCNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN7/c15-8-6-19-22(7-8)11-4-2-1-3-9(11)12-10(5-16)13(17)21-14(18)20-12/h1-4,6-7H,(H4,17,18,20,21).
What are the key properties of 2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 356.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[2-(4-bromopyrazol-1-yl)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169398352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).