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

C20H18ClN5S — CID 123274491

IUPAC1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine
SMILESNC(CNc1nc(-c2ccncc2)nc2c(Cl)csc12)Cc1ccccc1
InChIInChI=1S/C20H18ClN5S/c21-16-12-27-18-17(16)25-19(14-6-8-23-9-7-14)26-20(18)24-11-15(22)10-13-4-2-1-3-5-13/h1-9,12,15H,10-11,22H2,(H,24,25,26)
InChIKeyRXRBVUWUAWWKSD-UHFFFAOYSA-N
MW395.92 g/mol
LogP4.39
Rot. Bonds6

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

1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine (PubChem CID 123274491) has the molecular formula C20H18ClN5S and a molecular weight of 395.92 g/mol. Its IUPAC name is 1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine
PubChem CID123274491
Molecular FormulaC20H18ClN5S
Molecular Weight395.92 g/mol
Exact Mass395.10
IUPAC Name1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine
SMILESNC(CNc1nc(-c2ccncc2)nc2c(Cl)csc12)Cc1ccccc1
InChIInChI=1S/C20H18ClN5S/c21-16-12-27-18-17(16)25-19(14-6-8-23-9-7-14)26-20(18)24-11-15(22)10-13-4-2-1-3-5-13/h1-9,12,15H,10-11,22H2,(H,24,25,26)
InChIKeyRXRBVUWUAWWKSD-UHFFFAOYSA-N
XLogP4.39
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-fluorobut-1-ynyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123343623
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-[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-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123938766
1-N-[2-(3-fluoro-4-pyridinyl)-7-phenylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123721771
1-N-[7-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123590739
4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine
CID 123494987
4-[4-[[(2R)-2-amino-3-phenylpropyl]amino]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]phenol
CID 136623621
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
1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 123207423
1-N-[8-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 90100432

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine (CID 123274491) is 1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine is NC(CNc1nc(-c2ccncc2)nc2c(Cl)csc12)Cc1ccccc1.
What is the InChIKey of 1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
The InChIKey is RXRBVUWUAWWKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5S/c21-16-12-27-18-17(16)25-19(14-6-8-23-9-7-14)26-20(18)24-11-15(22)10-13-4-2-1-3-5-13/h1-9,12,15H,10-11,22H2,(H,24,25,26).
What are the key properties of 1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine has a molecular weight of 395.92 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 123274491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).