2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine

C19H19N5O — CID 3333762

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
SMILESCc1cc(C)nc(N=C(N)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C19H19N5O/c1-13-12-14(2)22-19(21-13)24-18(20)23-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-12H,1-2H3,(H3,20,21,22,23,24)
InChIKeyUKDOXRKDPXWJRZ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.94
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine

2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine (PubChem CID 3333762) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
PubChem CID3333762
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
SMILESCc1cc(C)nc(N=C(N)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C19H19N5O/c1-13-12-14(2)22-19(21-13)24-18(20)23-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-12H,1-2H3,(H3,20,21,22,23,24)
InChIKeyUKDOXRKDPXWJRZ-UHFFFAOYSA-N
XLogP3.94
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine (CID 3333762) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine is Cc1cc(C)nc(N=C(N)Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
The InChIKey is UKDOXRKDPXWJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-12-14(2)22-19(21-13)24-18(20)23-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-12H,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine has a molecular weight of 333.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine is sourced from PubChem (CID 3333762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).