N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C18H23IN4O3 — CID 119112774

IUPACN-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCOc1cccc(OC)c1Oc1ccc(CNC2=NCCCN2)cn1.I
InChIInChI=1S/C18H22N4O3.HI/c1-23-14-5-3-6-15(24-2)17(14)25-16-8-7-13(11-21-16)12-22-18-19-9-4-10-20-18;/h3,5-8,11H,4,9-10,12H2,1-2H3,(H2,19,20,22);1H
InChIKeyUUEFYXHFRLHOHZ-UHFFFAOYSA-N
MW470.31 g/mol
LogP2.95
Rot. Bonds6

About N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 119112774) has the molecular formula C18H23IN4O3 and a molecular weight of 470.31 g/mol. Its IUPAC name is N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID119112774
Molecular FormulaC18H23IN4O3
Molecular Weight470.31 g/mol
Exact Mass470.08
IUPAC NameN-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCOc1cccc(OC)c1Oc1ccc(CNC2=NCCCN2)cn1.I
InChIInChI=1S/C18H22N4O3.HI/c1-23-14-5-3-6-15(24-2)17(14)25-16-8-7-13(11-21-16)12-22-18-19-9-4-10-20-18;/h3,5-8,11H,4,9-10,12H2,1-2H3,(H2,19,20,22);1H
InChIKeyUUEFYXHFRLHOHZ-UHFFFAOYSA-N
XLogP2.95
TPSA77.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide with MolForge

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Related Compounds

N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110917761
1-[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62298293
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
N-[[2-methoxy-6-(trifluoromethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120967403
2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927517
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916050
2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide
CID 119113056
1-(cyclopropylmethyl)-3-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111869739
N-[(2,4,5-trimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914310
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112672
N-[(2-methoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914871
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110935572

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 119112774) is N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is COc1cccc(OC)c1Oc1ccc(CNC2=NCCCN2)cn1.I.
What is the InChIKey of N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is UUEFYXHFRLHOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.HI/c1-23-14-5-3-6-15(24-2)17(14)25-16-8-7-13(11-21-16)12-22-18-19-9-4-10-20-18;/h3,5-8,11H,4,9-10,12H2,1-2H3,(H2,19,20,22);1H.
What are the key properties of N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 470.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 119112774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).