2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine

C19H19N5O — CID 58638844

IUPAC2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine
SMILESCc1ccnc(/N=C(\N)Nc2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C19H19N5O/c1-14-10-11-21-19(22-14)24-18(20)23-16-8-5-9-17(12-16)25-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H3,20,21,22,23,24)
InChIKeyLBSRZEWJKWLNLK-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine

2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine (PubChem CID 58638844) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine
PubChem CID58638844
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine
SMILESCc1ccnc(/N=C(\N)Nc2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C19H19N5O/c1-14-10-11-21-19(22-14)24-18(20)23-16-8-5-9-17(12-16)25-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H3,20,21,22,23,24)
InChIKeyLBSRZEWJKWLNLK-UHFFFAOYSA-N
XLogP3.42
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.42
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'}

Analyze 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(3-phenylmethoxyphenyl)guanidine
CID 22675624
1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 58638846
2-amino-4-methyl-N-(3-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 174625351
1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050435
1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111075946
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
CID 164645110
1,2-dimethyl-1,3-bis(3-phenylmethoxyphenyl)guanidine
CID 67780070
1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
CID 111600655
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
1-(3-methoxyphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111032679
1-(3-ethylphenyl)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111047987

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine (CID 58638844) is 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine is Cc1ccnc(/N=C(\N)Nc2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine?
The InChIKey is LBSRZEWJKWLNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-10-11-21-19(22-14)24-18(20)23-16-8-5-9-17(12-16)25-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine?
2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine has a molecular weight of 333.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine is sourced from PubChem (CID 58638844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).