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

C19H16ClN7S — CID 74221429

IUPAC2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClc1ccc(-c2nc3c(c(Nc4ccc(Cc5nn[nH]n5)cc4)n2)CCC3)s1
InChIInChI=1S/C19H16ClN7S/c20-16-9-8-15(28-16)19-22-14-3-1-2-13(14)18(23-19)21-12-6-4-11(5-7-12)10-17-24-26-27-25-17/h4-9H,1-3,10H2,(H,21,22,23)(H,24,25,26,27)
InChIKeyWQAAHGKZLSLOKQ-UHFFFAOYSA-N
MW409.91 g/mol
LogP4.19
Rot. Bonds5

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

2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 74221429) has the molecular formula C19H16ClN7S and a molecular weight of 409.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID74221429
Molecular FormulaC19H16ClN7S
Molecular Weight409.91 g/mol
Exact Mass409.09
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClc1ccc(-c2nc3c(c(Nc4ccc(Cc5nn[nH]n5)cc4)n2)CCC3)s1
InChIInChI=1S/C19H16ClN7S/c20-16-9-8-15(28-16)19-22-14-3-1-2-13(14)18(23-19)21-12-6-4-11(5-7-12)10-17-24-26-27-25-17/h4-9H,1-3,10H2,(H,21,22,23)(H,24,25,26,27)
InChIKeyWQAAHGKZLSLOKQ-UHFFFAOYSA-N
XLogP4.19
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 54.19
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-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 74221429) is 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)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-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Clc1ccc(-c2nc3c(c(Nc4ccc(Cc5nn[nH]n5)cc4)n2)CCC3)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is WQAAHGKZLSLOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7S/c20-16-9-8-15(28-16)19-22-14-3-1-2-13(14)18(23-19)21-12-6-4-11(5-7-12)10-17-24-26-27-25-17/h4-9H,1-3,10H2,(H,21,22,23)(H,24,25,26,27).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 409.91 g/mol, XLogP of 4.19, 5 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-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 74221429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).