1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine

C16H26N4O2 — CID 110913670

IUPAC1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CNC2=NCCCN2)N(C)C)cc1OC
InChIInChI=1S/C16H26N4O2/c1-20(2)13(11-19-16-17-8-5-9-18-16)12-6-7-14(21-3)15(10-12)22-4/h6-7,10,13H,5,8-9,11H2,1-4H3,(H2,17,18,19)
InChIKeyAVRMUFSAILJHLE-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.25
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine

1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 110913670) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
PubChem CID110913670
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CNC2=NCCCN2)N(C)C)cc1OC
InChIInChI=1S/C16H26N4O2/c1-20(2)13(11-19-16-17-8-5-9-18-16)12-6-7-14(21-3)15(10-12)22-4/h6-7,10,13H,5,8-9,11H2,1-4H3,(H2,17,18,19)
InChIKeyAVRMUFSAILJHLE-UHFFFAOYSA-N
XLogP1.25
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine with MolForge

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Related Compounds

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
N-[(2,4,5-trimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914310
1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 3044563
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914147
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914146
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916050
2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927517
(1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol
CID 120580394
N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine
CID 110915302
1-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111126649

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine (CID 110913670) is 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine is COc1ccc(C(CNC2=NCCCN2)N(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is AVRMUFSAILJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-20(2)13(11-19-16-17-8-5-9-18-16)12-6-7-14(21-3)15(10-12)22-4/h6-7,10,13H,5,8-9,11H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine?
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 306.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 110913670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).