2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine

C19H16ClN7S — CID 74220647

IUPAC2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine
SMILESClc1ccc(-c2nc(Nc3ccc(Cc4nn[nH]n4)cc3)cc(C3CC3)n2)s1
InChIInChI=1S/C19H16ClN7S/c20-16-8-7-15(28-16)19-22-14(12-3-4-12)10-17(23-19)21-13-5-1-11(2-6-13)9-18-24-26-27-25-18/h1-2,5-8,10,12H,3-4,9H2,(H,21,22,23)(H,24,25,26,27)
InChIKeyIAMUULWJEBHQNE-UHFFFAOYSA-N
MW409.91 g/mol
LogP4.58
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine

2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine (PubChem CID 74220647) has the molecular formula C19H16ClN7S and a molecular weight of 409.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine
PubChem CID74220647
Molecular FormulaC19H16ClN7S
Molecular Weight409.91 g/mol
Exact Mass409.09
IUPAC Name2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine
SMILESClc1ccc(-c2nc(Nc3ccc(Cc4nn[nH]n4)cc3)cc(C3CC3)n2)s1
InChIInChI=1S/C19H16ClN7S/c20-16-8-7-15(28-16)19-22-14(12-3-4-12)10-17(23-19)21-13-5-1-11(2-6-13)9-18-24-26-27-25-18/h1-2,5-8,10,12H,3-4,9H2,(H,21,22,23)(H,24,25,26,27)
InChIKeyIAMUULWJEBHQNE-UHFFFAOYSA-N
XLogP4.58
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 54.58
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)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine (CID 74220647) is 2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine is Clc1ccc(-c2nc(Nc3ccc(Cc4nn[nH]n4)cc3)cc(C3CC3)n2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine?
The InChIKey is IAMUULWJEBHQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7S/c20-16-8-7-15(28-16)19-22-14(12-3-4-12)10-17(23-19)21-13-5-1-11(2-6-13)9-18-24-26-27-25-18/h1-2,5-8,10,12H,3-4,9H2,(H,21,22,23)(H,24,25,26,27).
What are the key properties of 2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine?
2-(5-chlorothiophen-2-yl)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine has a molecular weight of 409.91 g/mol, XLogP of 4.58, 6 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)-6-cyclopropyl-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 74220647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).