N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C10H16IN3S — CID 110916021

IUPACN-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCc1ccc(CNC2=NCCCN2)s1.I
InChIInChI=1S/C10H15N3S.HI/c1-8-3-4-9(14-8)7-13-10-11-5-2-6-12-10;/h3-4H,2,5-7H2,1H3,(H2,11,12,13);1H
InChIKeyQMAAPJBTEILPFM-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.11
Rot. Bonds2

About N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110916021) has the molecular formula C10H16IN3S and a molecular weight of 337.23 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110916021
Molecular FormulaC10H16IN3S
Molecular Weight337.23 g/mol
Exact Mass337.01
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCc1ccc(CNC2=NCCCN2)s1.I
InChIInChI=1S/C10H15N3S.HI/c1-8-3-4-9(14-8)7-13-10-11-5-2-6-12-10;/h3-4H,2,5-7H2,1H3,(H2,11,12,13);1H
InChIKeyQMAAPJBTEILPFM-UHFFFAOYSA-N
XLogP2.11
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110916021) is N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is Cc1ccc(CNC2=NCCCN2)s1.I.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is QMAAPJBTEILPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S.HI/c1-8-3-4-9(14-8)7-13-10-11-5-2-6-12-10;/h3-4H,2,5-7H2,1H3,(H2,11,12,13);1H.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 337.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110916021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).