6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione

C6H8ClN3S — CID 82603190

IUPAC6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione
SMILESNCCc1cc(Cl)nc(=S)[nH]1
InChIInChI=1S/C6H8ClN3S/c7-5-3-4(1-2-8)9-6(11)10-5/h3H,1-2,8H2,(H,9,10,11)
InChIKeyQGMHVONOUUHUPH-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.29
Rot. Bonds2

About 6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione

6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione (PubChem CID 82603190) has the molecular formula C6H8ClN3S and a molecular weight of 189.67 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione
PubChem CID82603190
Molecular FormulaC6H8ClN3S
Molecular Weight189.67 g/mol
Exact Mass189.01
IUPAC Name6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione
SMILESNCCc1cc(Cl)nc(=S)[nH]1
InChIInChI=1S/C6H8ClN3S/c7-5-3-4(1-2-8)9-6(11)10-5/h3H,1-2,8H2,(H,9,10,11)
InChIKeyQGMHVONOUUHUPH-UHFFFAOYSA-N
XLogP1.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-(2-aminoethyl)-1H-pyrimidin-2-one
CID 83851764
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
4-(2-aminoethyl)-6-chloropyrimidin-2-amine
CID 83851850
2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride
CID 131880085
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
4-(2-aminoethyl)-3H-1,3-thiazole-2-thione
CID 67482243
2-amino-6-(2-aminoethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 152552673
2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine
CID 14827778
2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95473112
2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine
CID 86331156
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390
4-(2-aminoethyl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-2-thione
CID 83871392

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione?
The IUPAC name of 6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione (CID 82603190) is 6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione is NCCc1cc(Cl)nc(=S)[nH]1.
What is the InChIKey of 6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione?
The InChIKey is QGMHVONOUUHUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S/c7-5-3-4(1-2-8)9-6(11)10-5/h3H,1-2,8H2,(H,9,10,11).
What are the key properties of 6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione?
6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione has a molecular weight of 189.67 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-chloro-1H-pyrimidine-2-thione is sourced from PubChem (CID 82603190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).