2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C15H16BrN3S — CID 83190335

IUPAC2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(Br)c2)nc2c1CSC2
InChIInChI=1S/C15H16BrN3S/c1-2-17-15-12-8-20-9-13(12)18-14(19-15)7-10-4-3-5-11(16)6-10/h3-6H,2,7-9H2,1H3,(H,17,18,19)
InChIKeyQBUBNDGUBLLHPE-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.01
Rot. Bonds4

About 2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190335) has the molecular formula C15H16BrN3S and a molecular weight of 350.29 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190335
Molecular FormulaC15H16BrN3S
Molecular Weight350.29 g/mol
Exact Mass349.02
IUPAC Name2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(Br)c2)nc2c1CSC2
InChIInChI=1S/C15H16BrN3S/c1-2-17-15-12-8-20-9-13(12)18-14(19-15)7-10-4-3-5-11(16)6-10/h3-6H,2,7-9H2,1H3,(H,17,18,19)
InChIKeyQBUBNDGUBLLHPE-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191304
N-ethyl-2-[(3-methoxyphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193116
2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190571
N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189907
4-chloro-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196977
N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191494
2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191211
2-[(3,4-dimethylphenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63487302
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306756
2-[(3-bromophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351504
2-(2,5-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190692
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190335) is 2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(Cc2cccc(Br)c2)nc2c1CSC2.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is QBUBNDGUBLLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S/c1-2-17-15-12-8-20-9-13(12)18-14(19-15)7-10-4-3-5-11(16)6-10/h3-6H,2,7-9H2,1H3,(H,17,18,19).
What are the key properties of 2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 350.29 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).