2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H16BrN5S — CID 62195584

IUPAC2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cn2cc(Br)cn2)nc2sc(C)c(C)c12
InChIInChI=1S/C14H16BrN5S/c1-4-16-13-12-8(2)9(3)21-14(12)19-11(18-13)7-20-6-10(15)5-17-20/h5-6H,4,7H2,1-3H3,(H,16,18,19)
InChIKeyFZVRNSCHCAFLLI-UHFFFAOYSA-N
MW366.29 g/mol
LogP3.75
Rot. Bonds4

About 2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62195584) has the molecular formula C14H16BrN5S and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62195584
Molecular FormulaC14H16BrN5S
Molecular Weight366.29 g/mol
Exact Mass365.03
IUPAC Name2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cn2cc(Br)cn2)nc2sc(C)c(C)c12
InChIInChI=1S/C14H16BrN5S/c1-4-16-13-12-8(2)9(3)21-14(12)19-11(18-13)7-20-6-10(15)5-17-20/h5-6H,4,7H2,1-3H3,(H,16,18,19)
InChIKeyFZVRNSCHCAFLLI-UHFFFAOYSA-N
XLogP3.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 62195584) is 2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(Cn2cc(Br)cn2)nc2sc(C)c(C)c12.
What is the InChIKey of 2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FZVRNSCHCAFLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5S/c1-4-16-13-12-8(2)9(3)21-14(12)19-11(18-13)7-20-6-10(15)5-17-20/h5-6H,4,7H2,1-3H3,(H,16,18,19).
What are the key properties of 2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 366.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62195584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).