2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol

C12H12BrN5OS — CID 154867731

IUPAC2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)CNc1ncc2scc(Br)c2n1
InChIInChI=1S/C12H12BrN5OS/c1-18-8(2-3-16-18)9(19)4-14-12-15-5-10-11(17-12)7(13)6-20-10/h2-3,5-6,9,19H,4H2,1H3,(H,14,15,17)
InChIKeyWYMILTCTHYIRKG-UHFFFAOYSA-N
MW354.23 g/mol
LogP2.33
Rot. Bonds4

About 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol

2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 154867731) has the molecular formula C12H12BrN5OS and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID154867731
Molecular FormulaC12H12BrN5OS
Molecular Weight354.23 g/mol
Exact Mass352.99
IUPAC Name2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)CNc1ncc2scc(Br)c2n1
InChIInChI=1S/C12H12BrN5OS/c1-18-8(2-3-16-18)9(19)4-14-12-15-5-10-11(17-12)7(13)6-20-10/h2-3,5-6,9,19H,4H2,1H3,(H,14,15,17)
InChIKeyWYMILTCTHYIRKG-UHFFFAOYSA-N
XLogP2.33
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol with MolForge

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Related Compounds

(2R)-2-(2-methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol
CID 164633310
2-[4-[(7-Bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
CID 126495548
1-[6-[[4-(2-Amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropan-1-ol
CID 175805121
2-[(8-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol
CID 106435834
2-[(6-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-thiophen-3-ylethanol
CID 106435870
2-(2-Methylpyrazol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol
CID 137997563
7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine
CID 138031417
7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine
CID 166241644

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol (CID 154867731) is 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(O)CNc1ncc2scc(Br)c2n1.
What is the InChIKey of 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is WYMILTCTHYIRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5OS/c1-18-8(2-3-16-18)9(19)4-14-12-15-5-10-11(17-12)7(13)6-20-10/h2-3,5-6,9,19H,4H2,1H3,(H,14,15,17).
What are the key properties of 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol?
2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 354.23 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromothieno[3,2-d]pyrimidin-2-yl)amino]-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 154867731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).