aminomethylthiourea;pyrimidine

C6H11N5S — CID 175303792

IUPACaminomethylthiourea;pyrimidine
SMILESNCNC(N)=S.c1cncnc1
InChIInChI=1S/C4H4N2.C2H7N3S/c1-2-5-4-6-3-1;3-1-5-2(4)6/h1-4H;1,3H2,(H3,4,5,6)
InChIKeySCZWACGYOIMQDE-UHFFFAOYSA-N
MW185.26 g/mol
LogP-0.79
Rot. Bonds1

About aminomethylthiourea;pyrimidine

aminomethylthiourea;pyrimidine (PubChem CID 175303792) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is aminomethylthiourea;pyrimidine.

Molecular Properties

Compound Nameaminomethylthiourea;pyrimidine
PubChem CID175303792
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC Nameaminomethylthiourea;pyrimidine
SMILESNCNC(N)=S.c1cncnc1
InChIInChI=1S/C4H4N2.C2H7N3S/c1-2-5-4-6-3-1;3-1-5-2(4)6/h1-4H;1,3H2,(H3,4,5,6)
InChIKeySCZWACGYOIMQDE-UHFFFAOYSA-N
XLogP-0.79
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

aminothiourea;1,3,5-triazine
CID 175354534
aminothiourea;pyridine
CID 158554630
pyrimidine;urea;hydrochloride
CID 158909847
hydroxyurea;pyrimidine
CID 158095220
sodium;hydride;pyrimidine;urea
CID 175308359
CID 174457230
CID 174457230
hypochlorous acid;pyrimidine
CID 161391603
methanethione;bis(pyrimidine)
CID 174411529
copper;pyrimidine
CID 140826173
iron;pyrimidine
CID 160776334
pyrimidine;bis(tungsten(2+))
CID 175709201
propane;bis(pyrimidine)
CID 91609456

Frequently Asked Questions

What is the IUPAC name of aminomethylthiourea;pyrimidine?
The IUPAC name of aminomethylthiourea;pyrimidine (CID 175303792) is aminomethylthiourea;pyrimidine.
What is the SMILES notation for aminomethylthiourea;pyrimidine?
The canonical SMILES for aminomethylthiourea;pyrimidine is NCNC(N)=S.c1cncnc1.
What is the InChIKey of aminomethylthiourea;pyrimidine?
The InChIKey is SCZWACGYOIMQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C2H7N3S/c1-2-5-4-6-3-1;3-1-5-2(4)6/h1-4H;1,3H2,(H3,4,5,6).
What are the key properties of aminomethylthiourea;pyrimidine?
aminomethylthiourea;pyrimidine has a molecular weight of 185.26 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylthiourea;pyrimidine is sourced from PubChem (CID 175303792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).