4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C15H15BrN4S — CID 103325565

IUPAC4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)Cc2ccc(Br)cc2)c2ccsc2n1
InChIInChI=1S/C15H15BrN4S/c1-17-15-18-13(12-7-8-21-14(12)19-15)20(2)9-10-3-5-11(16)6-4-10/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyQNVLJXNQAZOBNH-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.13
Rot. Bonds4

About 4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325565) has the molecular formula C15H15BrN4S and a molecular weight of 363.28 g/mol. Its IUPAC name is 4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325565
Molecular FormulaC15H15BrN4S
Molecular Weight363.28 g/mol
Exact Mass362.02
IUPAC Name4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)Cc2ccc(Br)cc2)c2ccsc2n1
InChIInChI=1S/C15H15BrN4S/c1-17-15-18-13(12-7-8-21-14(12)19-15)20(2)9-10-3-5-11(16)6-4-10/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyQNVLJXNQAZOBNH-UHFFFAOYSA-N
XLogP4.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325571
N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332546
2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328589
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325817
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327884
2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103332540
4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324912
2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334358
4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326591
2-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327565

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325565) is 4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N(C)Cc2ccc(Br)cc2)c2ccsc2n1.
What is the InChIKey of 4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QNVLJXNQAZOBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4S/c1-17-15-18-13(12-7-8-21-14(12)19-15)20(2)9-10-3-5-11(16)6-4-10/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 363.28 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).