4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine

C16H14ClN3S — CID 95506820

IUPAC4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(N2CCCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C16H14ClN3S/c17-14-13-12(11-6-2-1-3-7-11)10-21-15(13)19-16(18-14)20-8-4-5-9-20/h1-3,6-7,10H,4-5,8-9H2
InChIKeyKMUIGJLBAZSRAY-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.61
Rot. Bonds2

About 4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine

4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 95506820) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is 4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
PubChem CID95506820
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC Name4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
SMILESClc1nc(N2CCCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C16H14ClN3S/c17-14-13-12(11-6-2-1-3-7-11)10-21-15(13)19-16(18-14)20-8-4-5-9-20/h1-3,6-7,10H,4-5,8-9H2
InChIKeyKMUIGJLBAZSRAY-UHFFFAOYSA-N
XLogP4.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine
CID 12824912
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
CID 82309519
1-(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)azepane
CID 66293119
4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine
CID 158753076
4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
CID 144926094
4-chloro-2-piperidin-1-ylquinazoline
CID 15692068
2,3-dichloro-7-phenylthieno[2,3-b]pyrazine
CID 23122876
4-(4-methyl-1,4-diazepan-1-yl)-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 4841811
5-methyl-4-phenyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 3062911
4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 171989063

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine (CID 95506820) is 4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine is Clc1nc(N2CCCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is KMUIGJLBAZSRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3S/c17-14-13-12(11-6-2-1-3-7-11)10-21-15(13)19-16(18-14)20-8-4-5-9-20/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 315.83 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-phenyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 95506820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).