6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C9H11N5S — CID 80943801

IUPAC6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESNNc1cc(NCc2cccs2)ncn1
InChIInChI=1S/C9H11N5S/c10-14-9-4-8(12-6-13-9)11-5-7-2-1-3-15-7/h1-4,6H,5,10H2,(H2,11,12,13,14)
InChIKeyXUSYQJUFXABDGW-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.44
Rot. Bonds4

About 6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80943801) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID80943801
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESNNc1cc(NCc2cccs2)ncn1
InChIInChI=1S/C9H11N5S/c10-14-9-4-8(12-6-13-9)11-5-7-2-1-3-15-7/h1-4,6H,5,10H2,(H2,11,12,13,14)
InChIKeyXUSYQJUFXABDGW-UHFFFAOYSA-N
XLogP1.44
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.44
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

4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 115264138
2-cyclopropyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80969142
6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 80942638
4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 129005899
2-[methyl-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115266213
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80926173
6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80778240
6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80774344
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
6-N,2-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772969
4-(methylsulfanylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 71968208
5-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43173671

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 80943801) is 6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is NNc1cc(NCc2cccs2)ncn1.
What is the InChIKey of 6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is XUSYQJUFXABDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c10-14-9-4-8(12-6-13-9)11-5-7-2-1-3-15-7/h1-4,6H,5,10H2,(H2,11,12,13,14).
What are the key properties of 6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 221.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80943801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).