2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine

C18H17N3S2 — CID 168514045

IUPAC2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine
SMILESc1csc(-c2ccnc(Sc3ccc(N4CCCC4)cc3)n2)c1
InChIInChI=1S/C18H17N3S2/c1-2-12-21(11-1)14-5-7-15(8-6-14)23-18-19-10-9-16(20-18)17-4-3-13-22-17/h3-10,13H,1-2,11-12H2
InChIKeyYJWWKFLAXZKMQO-UHFFFAOYSA-N
MW339.49 g/mol
LogP4.96
Rot. Bonds4

About 2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine

2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine (PubChem CID 168514045) has the molecular formula C18H17N3S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine
PubChem CID168514045
Molecular FormulaC18H17N3S2
Molecular Weight339.49 g/mol
Exact Mass339.09
IUPAC Name2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine
SMILESc1csc(-c2ccnc(Sc3ccc(N4CCCC4)cc3)n2)c1
InChIInChI=1S/C18H17N3S2/c1-2-12-21(11-1)14-5-7-15(8-6-14)23-18-19-10-9-16(20-18)17-4-3-13-22-17/h3-10,13H,1-2,11-12H2
InChIKeyYJWWKFLAXZKMQO-UHFFFAOYSA-N
XLogP4.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylphenyl]isoindole-1,3-dione
CID 168518122
2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine
CID 51371047
4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 66493934
methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate
CID 3804988
ethyl 1-(4-thiophen-2-ylpyrimidin-2-yl)piperidine-3-carboxylate
CID 171989103
2-(4-piperazin-1-ylphenyl)sulfanylpyrimidine-4-carbonitrile
CID 141414258
4-(4-thiophen-2-ylpyrimidin-2-yl)aniline
CID 116899039
2-tert-butyl-4-thiophen-2-ylpyrimidine
CID 58930423
(4-phenylpiperazin-1-yl)-(2-thiophen-2-yl-4-pyridinyl)methanone
CID 53036756
4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine
CID 2739891
2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
CID 102326398
1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanone
CID 4665269

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine?
The IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine (CID 168514045) is 2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine is c1csc(-c2ccnc(Sc3ccc(N4CCCC4)cc3)n2)c1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine?
The InChIKey is YJWWKFLAXZKMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3S2/c1-2-12-21(11-1)14-5-7-15(8-6-14)23-18-19-10-9-16(20-18)17-4-3-13-22-17/h3-10,13H,1-2,11-12H2.
What are the key properties of 2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine?
2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine has a molecular weight of 339.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylphenyl)sulfanyl-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 168514045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).