2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine

C20H21N5O4 — CID 135915305

IUPAC2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine
SMILESCOc1ccc(-c2cnc(N=C(N)N)nc2-c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C20H21N5O4/c1-27-12-6-4-11(5-7-12)14-10-23-20(25-19(21)22)24-18(14)17-15(26)8-13(28-2)9-16(17)29-3/h4-10,26H,1-3H3,(H4,21,22,23,24,25)
InChIKeyFFCXEZDCDALUJB-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.45
Rot. Bonds6

About 2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine

2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine (PubChem CID 135915305) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine
PubChem CID135915305
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine
SMILESCOc1ccc(-c2cnc(N=C(N)N)nc2-c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C20H21N5O4/c1-27-12-6-4-11(5-7-12)14-10-23-20(25-19(21)22)24-18(14)17-15(26)8-13(28-2)9-16(17)29-3/h4-10,26H,1-3H3,(H4,21,22,23,24,25)
InChIKeyFFCXEZDCDALUJB-UHFFFAOYSA-N
XLogP2.45
TPSA138.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine?
The IUPAC name of 2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine (CID 135915305) is 2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine.
What is the SMILES notation for 2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine?
The canonical SMILES for 2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine is COc1ccc(-c2cnc(N=C(N)N)nc2-c2c(O)cc(OC)cc2OC)cc1.
What is the InChIKey of 2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine?
The InChIKey is FFCXEZDCDALUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-27-12-6-4-11(5-7-12)14-10-23-20(25-19(21)22)24-18(14)17-15(26)8-13(28-2)9-16(17)29-3/h4-10,26H,1-3H3,(H4,21,22,23,24,25).
What are the key properties of 2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine?
2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine has a molecular weight of 395.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-4,6-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]guanidine is sourced from PubChem (CID 135915305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).