2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine

C18H26N6O2 — CID 142888271

IUPAC2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
SMILESCOc1cc(C)nc(N/C(N)=N/Cc2ccc(OCCN(C)C)cc2)n1
InChIInChI=1S/C18H26N6O2/c1-13-11-16(25-4)22-18(21-13)23-17(19)20-12-14-5-7-15(8-6-14)26-10-9-24(2)3/h5-8,11H,9-10,12H2,1-4H3,(H3,19,20,21,22,23)
InChIKeyVFCNRDXHEDRSCS-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.66
Rot. Bonds8

About 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine

2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine (PubChem CID 142888271) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
PubChem CID142888271
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
SMILESCOc1cc(C)nc(N/C(N)=N/Cc2ccc(OCCN(C)C)cc2)n1
InChIInChI=1S/C18H26N6O2/c1-13-11-16(25-4)22-18(21-13)23-17(19)20-12-14-5-7-15(8-6-14)26-10-9-24(2)3/h5-8,11H,9-10,12H2,1-4H3,(H3,19,20,21,22,23)
InChIKeyVFCNRDXHEDRSCS-UHFFFAOYSA-N
XLogP1.66
TPSA97.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-(3,4-dimethoxyphenyl)-2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]guanidine
CID 111100951
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-(3,5-dimethylphenyl)guanidine
CID 111100919
1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[3-(pyrrolidin-3-ylamino)propoxy]phenyl]methyl]guanidine
CID 142888238
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111052985
1-(4,6-dimethylpyrimidin-2-yl)-2-[[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]guanidine
CID 142888289
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111034023
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 66508239
4-[2-(dimethylamino)ethoxy]-N,6-dimethylpyrimidin-2-amine
CID 80870972
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine
CID 142888276
2-benzyl-1-(6-methoxy-4-methylquinazolin-2-yl)guanidine
CID 6341571
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine (CID 142888271) is 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine is COc1cc(C)nc(N/C(N)=N/Cc2ccc(OCCN(C)C)cc2)n1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
The InChIKey is VFCNRDXHEDRSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-11-16(25-4)22-18(21-13)23-17(19)20-12-14-5-7-15(8-6-14)26-10-9-24(2)3/h5-8,11H,9-10,12H2,1-4H3,(H3,19,20,21,22,23).
What are the key properties of 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine has a molecular weight of 358.45 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(4-methoxy-6-methylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 142888271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).