1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine

C13H20N4O2 — CID 3044563

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
SMILESCOc1ccc(CNNC2=NCCCN2)cc1OC
InChIInChI=1S/C13H20N4O2/c1-18-11-5-4-10(8-12(11)19-2)9-16-17-13-14-6-3-7-15-13/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,14,15,17)
InChIKeyKFFVZOHRTKXUDJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.65
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine

1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine (PubChem CID 3044563) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
PubChem CID3044563
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
SMILESCOc1ccc(CNNC2=NCCCN2)cc1OC
InChIInChI=1S/C13H20N4O2/c1-18-11-5-4-10(8-12(11)19-2)9-16-17-13-14-6-3-7-15-13/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,14,15,17)
InChIKeyKFFVZOHRTKXUDJ-UHFFFAOYSA-N
XLogP0.65
TPSA66.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
methyl 2-methoxy-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzoate;hydroiodide
CID 110930085
2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927517
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111105589
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
1-[(3,4-dimethoxyphenyl)methyl]-1-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 21152033
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
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
CID 110913670
N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508443

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine (CID 3044563) is 1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine is COc1ccc(CNNC2=NCCCN2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine?
The InChIKey is KFFVZOHRTKXUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-18-11-5-4-10(8-12(11)19-2)9-16-17-13-14-6-3-7-15-13/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine?
1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine has a molecular weight of 264.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine is sourced from PubChem (CID 3044563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).