4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

C10H11BrN4S — CID 115265447

IUPAC4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2ccc(Br)s2)ncn1
InChIInChI=1S/C10H11BrN4S/c1-12-8-5-9(14-6-13-8)15(2)10-4-3-7(11)16-10/h3-6H,1-2H3,(H,12,13,14)
InChIKeyAOVHLQHWJZPPET-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.11
Rot. Bonds3

About 4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 115265447) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID115265447
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2ccc(Br)s2)ncn1
InChIInChI=1S/C10H11BrN4S/c1-12-8-5-9(14-6-13-8)15(2)10-4-3-7(11)16-10/h3-6H,1-2H3,(H,12,13,14)
InChIKeyAOVHLQHWJZPPET-UHFFFAOYSA-N
XLogP3.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-chlorothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265446
2-[[6-[(5-bromothiophen-2-yl)-methylamino]pyrimidin-4-yl]amino]acetonitrile
CID 115264820
4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265479
4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine
CID 115265487
4-N,6-N-dimethyl-4-N-(2,4,5-trimethylphenyl)pyrimidine-4,6-diamine
CID 115265462
2-[[6-[(5-bromothiophen-2-yl)-methylamino]-2-methylpyrimidin-4-yl]amino]acetonitrile
CID 115266792
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793977
4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265439
4-N-(2-methoxy-5-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265440
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 115265447) is 4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)c2ccc(Br)s2)ncn1.
What is the InChIKey of 4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is AOVHLQHWJZPPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c1-12-8-5-9(14-6-13-8)15(2)10-4-3-7(11)16-10/h3-6H,1-2H3,(H,12,13,14).
What are the key properties of 4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 299.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).