1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine

C14H14BrN5S — CID 123207423

IUPAC1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(N)CNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIInChI=1S/C14H14BrN5S/c1-8(16)6-18-14-12-11(10(15)7-21-12)19-13(20-14)9-2-4-17-5-3-9/h2-5,7-8H,6,16H2,1H3,(H,18,19,20)
InChIKeyPXMUFOHMQDXUJA-UHFFFAOYSA-N
MW364.27 g/mol
LogP3.27
Rot. Bonds4

About 1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine

1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 123207423) has the molecular formula C14H14BrN5S and a molecular weight of 364.27 g/mol. Its IUPAC name is 1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID123207423
Molecular FormulaC14H14BrN5S
Molecular Weight364.27 g/mol
Exact Mass363.02
IUPAC Name1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(N)CNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIInChI=1S/C14H14BrN5S/c1-8(16)6-18-14-12-11(10(15)7-21-12)19-13(20-14)9-2-4-17-5-3-9/h2-5,7-8H,6,16H2,1H3,(H,18,19,20)
InChIKeyPXMUFOHMQDXUJA-UHFFFAOYSA-N
XLogP3.27
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 147242835
1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 123646349
1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine
CID 123274491
1-N-[7-(3,3-dimethylbut-1-ynyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123805448
1-N-[7-(2-methylpyrazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123944345
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
1-[4-[[(2S)-2-amino-3-phenylpropyl]amino]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3-methylpent-1-yn-3-ol
CID 137426052
1-N-[7-(4-fluorobut-1-ynyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123343623
1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123938766
5,6-dimethyl-N-(2-methylpropyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 123514867
1-N-[7-(3-methoxy-4-pyridinyl)-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123835237
N-ethyl-6-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 62913834

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine (CID 123207423) is 1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine is CC(N)CNc1nc(-c2ccncc2)nc2c(Br)csc12.
What is the InChIKey of 1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is PXMUFOHMQDXUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5S/c1-8(16)6-18-14-12-11(10(15)7-21-12)19-13(20-14)9-2-4-17-5-3-9/h2-5,7-8H,6,16H2,1H3,(H,18,19,20).
What are the key properties of 1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine?
1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 364.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 123207423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).