N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C19H25IN4S — CID 110925611

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1ccc(C(CNC2=NCCCN2)N2CCc3sccc3C2)cc1
InChIInChI=1S/C19H24N4S.HI/c1-2-5-15(6-3-1)17(13-22-19-20-9-4-10-21-19)23-11-7-18-16(14-23)8-12-24-18;/h1-3,5-6,8,12,17H,4,7,9-11,13-14H2,(H2,20,21,22);1H
InChIKeyFPUMHHCIHDEZFF-UHFFFAOYSA-N
MW468.41 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110925611) has the molecular formula C19H25IN4S and a molecular weight of 468.41 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110925611
Molecular FormulaC19H25IN4S
Molecular Weight468.41 g/mol
Exact Mass468.08
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1ccc(C(CNC2=NCCCN2)N2CCc3sccc3C2)cc1
InChIInChI=1S/C19H24N4S.HI/c1-2-5-15(6-3-1)17(13-22-19-20-9-4-10-21-19)23-11-7-18-16(14-23)8-12-24-18;/h1-3,5-6,8,12,17H,4,7,9-11,13-14H2,(H2,20,21,22);1H
InChIKeyFPUMHHCIHDEZFF-UHFFFAOYSA-N
XLogP3.40
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918076
N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913758
5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 132530725
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914146
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125925
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 119155799
N,N-diethyl-1-phenyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
CID 110913651
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide
CID 133316958
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914147
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2,3-dimethylguanidine
CID 47092705
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110940037

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110925611) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is I.c1ccc(C(CNC2=NCCCN2)N2CCc3sccc3C2)cc1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is FPUMHHCIHDEZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S.HI/c1-2-5-15(6-3-1)17(13-22-19-20-9-4-10-21-19)23-11-7-18-16(14-23)8-12-24-18;/h1-3,5-6,8,12,17H,4,7,9-11,13-14H2,(H2,20,21,22);1H.
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 468.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110925611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).