2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine

C17H23N5O2 — CID 3013258

IUPAC2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCOc1ccc(OC)c(CC/N=C(\N)Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C17H23N5O2/c1-11-9-12(2)21-17(20-11)22-16(18)19-8-7-13-10-14(23-3)5-6-15(13)24-4/h5-6,9-10H,7-8H2,1-4H3,(H3,18,19,20,21,22)
InChIKeySTNUYIPKNOJZDX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.08
Rot. Bonds6

About 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine

2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine (PubChem CID 3013258) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine
PubChem CID3013258
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCOc1ccc(OC)c(CC/N=C(\N)Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C17H23N5O2/c1-11-9-12(2)21-17(20-11)22-16(18)19-8-7-13-10-14(23-3)5-6-15(13)24-4/h5-6,9-10H,7-8H2,1-4H3,(H3,18,19,20,21,22)
InChIKeySTNUYIPKNOJZDX-UHFFFAOYSA-N
XLogP2.08
TPSA94.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
5-(3-(2,5-Dimethoxyphenyl)prop-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine
CID 25058133
5-[(3s)-3-(2-Methoxybiphenyl-4-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
CID 25195365
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
5-[3-(3-Methoxy-4-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25093365
5-[3-(2,5-Dimethoxyphenyl)prop-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25138223
5-[3-(2,5-Dimethoxyphenyl)prop-1-Yn-1-Yl]-6-Propylpyrimidine-2,4-Diamine
CID 25138224
4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
6-Ethyl-5-[3-(5-Methoxybiphenyl-3-Yl)prop-1-Yn-1-Yl]pyrimidine-2,4-Diamine
CID 49788718
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine (CID 3013258) is 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine is COc1ccc(OC)c(CC/N=C(\N)Nc2nc(C)cc(C)n2)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
The InChIKey is STNUYIPKNOJZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-9-12(2)21-17(20-11)22-16(18)19-8-7-13-10-14(23-3)5-6-15(13)24-4/h5-6,9-10H,7-8H2,1-4H3,(H3,18,19,20,21,22).
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine?
2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine has a molecular weight of 329.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 3013258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).