2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine

C15H21N5S — CID 81007227

IUPAC2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(NC2CCCc3sccc32)n1
InChIInChI=1S/C15H21N5S/c1-3-13-18-14(9(2)15(19-13)20-16)17-11-5-4-6-12-10(11)7-8-21-12/h7-8,11H,3-6,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyZFPUMDBCWNTKDP-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.18
Rot. Bonds4

About 2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine

2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine (PubChem CID 81007227) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
PubChem CID81007227
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(NC2CCCc3sccc32)n1
InChIInChI=1S/C15H21N5S/c1-3-13-18-14(9(2)15(19-13)20-16)17-11-5-4-6-12-10(11)7-8-21-12/h7-8,11H,3-6,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyZFPUMDBCWNTKDP-UHFFFAOYSA-N
XLogP3.18
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
CID 102761994
6-N,5-dimethyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,6-diamine
CID 80824800
5-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824547
2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333485
5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine
CID 105362612
6-hydrazinyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80919316
5-bromo-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824799
6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 80918851
6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 66327688
2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80823428
6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine
CID 62840803
2-ethyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-1H-pyrimidin-6-one
CID 136975495

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine (CID 81007227) is 2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine is CCc1nc(NN)c(C)c(NC2CCCc3sccc32)n1.
What is the InChIKey of 2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The InChIKey is ZFPUMDBCWNTKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-3-13-18-14(9(2)15(19-13)20-16)17-11-5-4-6-12-10(11)7-8-21-12/h7-8,11H,3-6,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine has a molecular weight of 303.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 81007227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).