2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine

C15H14BrN3S — CID 63486940

IUPAC2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccc(Br)cc2)nc2sccc12
InChIInChI=1S/C15H14BrN3S/c1-2-17-14-12-7-8-20-15(12)19-13(18-14)9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,17,18,19)
InChIKeyCAVDDCFGUSLGPX-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.48
Rot. Bonds4

About 2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine

2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63486940) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63486940
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2ccc(Br)cc2)nc2sccc12
InChIInChI=1S/C15H14BrN3S/c1-2-17-14-12-7-8-20-15(12)19-13(18-14)9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,17,18,19)
InChIKeyCAVDDCFGUSLGPX-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183378
N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188844
N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178950
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 102928811
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55045080
2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1H-pyridazine-3,6-dione
CID 62208500
N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193882

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine (CID 63486940) is 2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(Cc2ccc(Br)cc2)nc2sccc12.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CAVDDCFGUSLGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-2-17-14-12-7-8-20-15(12)19-13(18-14)9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,17,18,19).
What are the key properties of 2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.27 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63486940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).