2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile

C11H7Br2N5 — CID 169396136

IUPAC2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H7Br2N5/c12-6-1-5(2-7(13)3-6)9-8(4-14)10(15)18-11(16)17-9/h1-3H,(H4,15,16,17,18)
InChIKeyGSUCYQKHXKCZMX-UHFFFAOYSA-N
MW369.02 g/mol
LogP2.70
Rot. Bonds1

About 2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile

2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile (PubChem CID 169396136) has the molecular formula C11H7Br2N5 and a molecular weight of 369.02 g/mol. Its IUPAC name is 2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile
PubChem CID169396136
Molecular FormulaC11H7Br2N5
Molecular Weight369.02 g/mol
Exact Mass366.91
IUPAC Name2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H7Br2N5/c12-6-1-5(2-7(13)3-6)9-8(4-14)10(15)18-11(16)17-9/h1-3H,(H4,15,16,17,18)
InChIKeyGSUCYQKHXKCZMX-UHFFFAOYSA-N
XLogP2.70
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.02
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diamino-6-(4-bromo-3,5-dimethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396166
2,4-diamino-6-(3-bromo-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396130
2,4-diamino-6-(4-bromo-2-methylphenyl)pyrimidine-5-carbonitrile
CID 169396212
2,4-diamino-6-(2-bromo-3,5-difluorophenyl)pyrimidine-5-carbonitrile
CID 169396365
2,4-diamino-6-[3-(bromomethyl)-4-fluorophenyl]pyrimidine-5-carbonitrile
CID 169398795
2,4-diamino-6-(3-bromo-4-fluoro-2,6-dimethylphenyl)pyrimidine-5-carbonitrile
CID 169398682
2,4-diamino-6-[3-[(4-bromophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397384
2,4-diamino-6-(3-fluoro-4,5-dimethoxyphenyl)pyrimidine-5-carbonitrile
CID 169398230
2,4-diamino-6-(3-bromo-5-methoxy-4-propoxyphenyl)pyrimidine-5-carbonitrile
CID 169397650
2,4-diamino-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]pyrimidine-5-carbonitrile
CID 169396454
2,4-diamino-6-(3-bromo-2,4-difluorophenyl)pyrimidine-5-carbonitrile
CID 169397709
2,4-diamino-6-(3,5-dibromo-2-propoxyphenyl)pyrimidine-5-carbonitrile
CID 169398101

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile (CID 169396136) is 2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1cc(Br)cc(Br)c1.
What is the InChIKey of 2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile?
The InChIKey is GSUCYQKHXKCZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N5/c12-6-1-5(2-7(13)3-6)9-8(4-14)10(15)18-11(16)17-9/h1-3H,(H4,15,16,17,18).
What are the key properties of 2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile has a molecular weight of 369.02 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).