2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C18H14ClN7S — CID 74221493

IUPAC2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClc1ccc(-c2nc3c(c(Nc4ccc(-c5nn[nH]n5)cc4)n2)CCC3)s1
InChIInChI=1S/C18H14ClN7S/c19-15-9-8-14(27-15)18-21-13-3-1-2-12(13)17(22-18)20-11-6-4-10(5-7-11)16-23-25-26-24-16/h4-9H,1-3H2,(H,20,21,22)(H,23,24,25,26)
InChIKeyYKVBQRHQUJFLLJ-UHFFFAOYSA-N
MW395.88 g/mol
LogP4.27
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 74221493) has the molecular formula C18H14ClN7S and a molecular weight of 395.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID74221493
Molecular FormulaC18H14ClN7S
Molecular Weight395.88 g/mol
Exact Mass395.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClc1ccc(-c2nc3c(c(Nc4ccc(-c5nn[nH]n5)cc4)n2)CCC3)s1
InChIInChI=1S/C18H14ClN7S/c19-15-9-8-14(27-15)18-21-13-3-1-2-12(13)17(22-18)20-11-6-4-10(5-7-11)16-23-25-26-24-16/h4-9H,1-3H2,(H,20,21,22)(H,23,24,25,26)
InChIKeyYKVBQRHQUJFLLJ-UHFFFAOYSA-N
XLogP4.27
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 74221493) is 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Clc1ccc(-c2nc3c(c(Nc4ccc(-c5nn[nH]n5)cc4)n2)CCC3)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is YKVBQRHQUJFLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7S/c19-15-9-8-14(27-15)18-21-13-3-1-2-12(13)17(22-18)20-11-6-4-10(5-7-11)16-23-25-26-24-16/h4-9H,1-3H2,(H,20,21,22)(H,23,24,25,26).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 395.88 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 74221493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).