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

C23H23N7S — CID 123938766

IUPAC1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
SMILES[H]/N=C/C/C(=N\[H])c1csc2c(NCC(N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIInChI=1S/C23H23N7S/c24-9-6-19(26)18-14-31-21-20(18)29-22(16-7-10-27-11-8-16)30-23(21)28-13-17(25)12-15-4-2-1-3-5-15/h1-5,7-11,14,17,24,26H,6,12-13,25H2,(H,28,29,30)/b24-9+,26-19+
InChIKeyPFUAGEMRZYCPLM-MNCXFTRDSA-N
MW429.55 g/mol
LogP4.14
Rot. Bonds9

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

1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine (PubChem CID 123938766) has the molecular formula C23H23N7S and a molecular weight of 429.55 g/mol. Its IUPAC name is 1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
PubChem CID123938766
Molecular FormulaC23H23N7S
Molecular Weight429.55 g/mol
Exact Mass429.17
IUPAC Name1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
SMILES[H]/N=C/C/C(=N\[H])c1csc2c(NCC(N)Cc3ccccc3)nc(-c3ccncc3)nc12
InChIInChI=1S/C23H23N7S/c24-9-6-19(26)18-14-31-21-20(18)29-22(16-7-10-27-11-8-16)30-23(21)28-13-17(25)12-15-4-2-1-3-5-15/h1-5,7-11,14,17,24,26H,6,12-13,25H2,(H,28,29,30)/b24-9+,26-19+
InChIKeyPFUAGEMRZYCPLM-MNCXFTRDSA-N
XLogP4.14
TPSA124.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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-(4-fluorobut-1-ynyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123343623
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-(2-methylpyrazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123944345
4-[4-[[(2R)-2-amino-3-phenylpropyl]amino]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]phenol
CID 136623621
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
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-(3-methylphenyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 134312493

Frequently Asked Questions

What is the IUPAC name of 1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine (CID 123938766) is 1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine is [H]/N=C/C/C(=N\[H])c1csc2c(NCC(N)Cc3ccccc3)nc(-c3ccncc3)nc12.
What is the InChIKey of 1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine?
The InChIKey is PFUAGEMRZYCPLM-MNCXFTRDSA-N. The full InChI is InChI=1S/C23H23N7S/c24-9-6-19(26)18-14-31-21-20(18)29-22(16-7-10-27-11-8-16)30-23(21)28-13-17(25)12-15-4-2-1-3-5-15/h1-5,7-11,14,17,24,26H,6,12-13,25H2,(H,28,29,30)/b24-9+,26-19+.
What are the key properties of 1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine?
1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine has a molecular weight of 429.55 g/mol, XLogP of 4.14, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 123938766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).