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

C18H16ClN7S — CID 74221494

IUPAC2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(Cl)s2)nc1Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H16ClN7S/c1-3-13-10(2)20-18(14-8-9-15(19)27-14)22-17(13)21-12-6-4-11(5-7-12)16-23-25-26-24-16/h4-9H,3H2,1-2H3,(H,20,21,22)(H,23,24,25,26)
InChIKeyDPXZUMXMEPLMNT-UHFFFAOYSA-N
MW397.90 g/mol
LogP4.65
Rot. Bonds5

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

2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 74221494) has the molecular formula C18H16ClN7S and a molecular weight of 397.90 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID74221494
Molecular FormulaC18H16ClN7S
Molecular Weight397.90 g/mol
Exact Mass397.09
IUPAC Name2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(Cl)s2)nc1Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H16ClN7S/c1-3-13-10(2)20-18(14-8-9-15(19)27-14)22-17(13)21-12-6-4-11(5-7-12)16-23-25-26-24-16/h4-9H,3H2,1-2H3,(H,20,21,22)(H,23,24,25,26)
InChIKeyDPXZUMXMEPLMNT-UHFFFAOYSA-N
XLogP4.65
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine with MolForge

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Related Compounds

5-(4-{[(5-Chlorothiophen-3-yl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11617435
N-(4-chlorophenyl)-5,7-dimethyl-2-(thiophen-3-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 7066889
N-(3-chlorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 53325884
2-N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine
CID 59757998
US11401286, Example 79
CID 74221496
2-(5-chlorothiophen-2-yl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 15989716
US11401286, Example 304
CID 74220579
2-[4-[[2-(5-Chloro-2-thienyl)-5-ethyl-6-methyl-pyrimidin-4-yl]amino]phenyl]-N-cyano-acetamide
CID 74220581
US11401286, Example 298
CID 74220647
2-(5-Chloro-2-thienyl)-N-[4-(1H-tetrazol-5-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 74221429
2-(5-Chloro-2-thienyl)-5-ethyl-6-methyl-N-[4-(1H-tetrazol-5-ylmethyl)phenyl]pyrimidin-4-amine
CID 74221430
US11401286, Example 77
CID 74221493

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine (CID 74221494) is 2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine is CCc1c(C)nc(-c2ccc(Cl)s2)nc1Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is DPXZUMXMEPLMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7S/c1-3-13-10(2)20-18(14-8-9-15(19)27-14)22-17(13)21-12-6-4-11(5-7-12)16-23-25-26-24-16/h4-9H,3H2,1-2H3,(H,20,21,22)(H,23,24,25,26).
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 397.90 g/mol, XLogP of 4.65, 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)-5-ethyl-6-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 74221494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).