6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile

C11H9BrN4S — CID 115142996

IUPAC6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
SMILESCN(Cc1ccc(Br)s1)c1cc(C#N)ncn1
InChIInChI=1S/C11H9BrN4S/c1-16(6-9-2-3-10(12)17-9)11-4-8(5-13)14-7-15-11/h2-4,7H,6H2,1H3
InChIKeyOHOOXEVFNATPHM-UHFFFAOYSA-N
MW309.19 g/mol
LogP2.81
Rot. Bonds3

About 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile

6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile (PubChem CID 115142996) has the molecular formula C11H9BrN4S and a molecular weight of 309.19 g/mol. Its IUPAC name is 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
PubChem CID115142996
Molecular FormulaC11H9BrN4S
Molecular Weight309.19 g/mol
Exact Mass307.97
IUPAC Name6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
SMILESCN(Cc1ccc(Br)s1)c1cc(C#N)ncn1
InChIInChI=1S/C11H9BrN4S/c1-16(6-9-2-3-10(12)17-9)11-4-8(5-13)14-7-15-11/h2-4,7H,6H2,1H3
InChIKeyOHOOXEVFNATPHM-UHFFFAOYSA-N
XLogP2.81
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile
CID 51301153
6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979
6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143016
6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143001
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 115143006
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
2-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-4-carboxamide
CID 56822846
4-amino-3-[(5-bromothiophen-2-yl)methyl-methylamino]benzonitrile
CID 115127299
2-N-[(5-bromothiophen-2-yl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382673
N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine
CID 78901234

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile (CID 115142996) is 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile is CN(Cc1ccc(Br)s1)c1cc(C#N)ncn1.
What is the InChIKey of 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile?
The InChIKey is OHOOXEVFNATPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4S/c1-16(6-9-2-3-10(12)17-9)11-4-8(5-13)14-7-15-11/h2-4,7H,6H2,1H3.
What are the key properties of 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile?
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile has a molecular weight of 309.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).