4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol

C24H21FN4OS — CID 146240466

IUPAC4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol
SMILESCC(O)C#Cc1csc2c(NCCCc3ccccc3)nc(-c3ccncc3F)nc12
InChIInChI=1S/C24H21FN4OS/c1-16(30)9-10-18-15-31-22-21(18)28-23(19-11-13-26-14-20(19)25)29-24(22)27-12-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,13-16,30H,5,8,12H2,1H3,(H,27,28,29)
InChIKeyUOGAJZQBVVARBE-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.67
Rot. Bonds6

About 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol

4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol (PubChem CID 146240466) has the molecular formula C24H21FN4OS and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol
PubChem CID146240466
Molecular FormulaC24H21FN4OS
Molecular Weight432.52 g/mol
Exact Mass432.14
IUPAC Name4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol
SMILESCC(O)C#Cc1csc2c(NCCCc3ccccc3)nc(-c3ccncc3F)nc12
InChIInChI=1S/C24H21FN4OS/c1-16(30)9-10-18-15-31-22-21(18)28-23(19-11-13-26-14-20(19)25)29-24(22)27-12-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,13-16,30H,5,8,12H2,1H3,(H,27,28,29)
InChIKeyUOGAJZQBVVARBE-UHFFFAOYSA-N
XLogP4.67
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-N-[2-(3-fluoro-4-pyridinyl)-7-phenylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123721771
2-methyl-4-[6-methyl-4-(3-phenylpropylamino)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol
CID 146240327
6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 166119848
4-[2-[[2-(1-benzothiophen-3-yl)-7-propan-2-ylthieno[3,2-d]pyrimidin-4-yl]amino]ethyl]phenol;methane
CID 167629513
1-[7-[2-(2-fluorophenyl)ethynyl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 118893247
7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 147242835
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
1-N-[7-(2-methylpyrazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123944345
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
3-bromo-N-(3-phenylpropyl)pyridin-4-amine
CID 104776830
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylpropyl)pyrimidin-4-amine
CID 91892570
2-(3-fluoro-4-pyridinyl)-7-N-(3-methylphenyl)thieno[3,2-d]pyrimidine-4,7-diamine
CID 123317588

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol?
The IUPAC name of 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol (CID 146240466) is 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol.
What is the SMILES notation for 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol?
The canonical SMILES for 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol is CC(O)C#Cc1csc2c(NCCCc3ccccc3)nc(-c3ccncc3F)nc12.
What is the InChIKey of 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol?
The InChIKey is UOGAJZQBVVARBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS/c1-16(30)9-10-18-15-31-22-21(18)28-23(19-11-13-26-14-20(19)25)29-24(22)27-12-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,13-16,30H,5,8,12H2,1H3,(H,27,28,29).
What are the key properties of 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol?
4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol has a molecular weight of 432.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-pyridinyl)-4-(3-phenylpropylamino)thieno[3,2-d]pyrimidin-7-yl]but-3-yn-2-ol is sourced from PubChem (CID 146240466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).