N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C17H27IN4O — CID 110914146

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCOc1ccc(C(CNC2=NCCCN2)N2CCCC2)cc1.I
InChIInChI=1S/C17H26N4O.HI/c1-22-15-7-5-14(6-8-15)16(21-11-2-3-12-21)13-20-17-18-9-4-10-19-17;/h5-8,16H,2-4,9-13H2,1H3,(H2,18,19,20);1H
InChIKeyBAEXYDGYDYUHQL-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110914146) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110914146
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCOc1ccc(C(CNC2=NCCCN2)N2CCCC2)cc1.I
InChIInChI=1S/C17H26N4O.HI/c1-22-15-7-5-14(6-8-15)16(21-11-2-3-12-21)13-20-17-18-9-4-10-19-17;/h5-8,16H,2-4,9-13H2,1H3,(H2,18,19,20);1H
InChIKeyBAEXYDGYDYUHQL-UHFFFAOYSA-N
XLogP2.39
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.39
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-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914147
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
N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465522
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-benzothiazol-2-amine
CID 60592256
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110934883
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
CID 82088353
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 71899470
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 4798081
N-[(2-bromo-5-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112857
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-nitroimidazol-4-amine
CID 18095511

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110914146) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is COc1ccc(C(CNC2=NCCCN2)N2CCCC2)cc1.I.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is BAEXYDGYDYUHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-22-15-7-5-14(6-8-15)16(21-11-2-3-12-21)13-20-17-18-9-4-10-19-17;/h5-8,16H,2-4,9-13H2,1H3,(H2,18,19,20);1H.
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110914146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).