1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine

C14H17N5O — CID 135481551

IUPAC1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCc1ccc(N/C(N)=N/c2nc(C)cc(=O)[nH]2)c(C)c1
InChIInChI=1S/C14H17N5O/c1-8-4-5-11(9(2)6-8)17-13(15)19-14-16-10(3)7-12(20)18-14/h4-7H,1-3H3,(H4,15,16,17,18,19,20)
InChIKeyVPVFROXGWUYYDX-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.75
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine

1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine (PubChem CID 135481551) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
PubChem CID135481551
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCc1ccc(N/C(N)=N/c2nc(C)cc(=O)[nH]2)c(C)c1
InChIInChI=1S/C14H17N5O/c1-8-4-5-11(9(2)6-8)17-13(15)19-14-16-10(3)7-12(20)18-14/h4-7H,1-3H3,(H4,15,16,17,18,19,20)
InChIKeyVPVFROXGWUYYDX-UHFFFAOYSA-N
XLogP1.75
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 137276879
1-(2,4-dimethylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
CID 135645093
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 135645386
N-(2,4-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135399216
1-(3-methoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135513481
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135504526
1-(4-ethoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135471732
1-(2,4-dimethylphenyl)-2-(4-methyl-6-piperidin-1-ylpyrimidin-1-ium-2-yl)guanidine
CID 135738696
1-(4-methylphenyl)-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
CID 135951714
N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 135954388
1-(4-methylphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
CID 135883195
N-(2,4-dimethylphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705769

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine (CID 135481551) is 1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine is Cc1ccc(N/C(N)=N/c2nc(C)cc(=O)[nH]2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The InChIKey is VPVFROXGWUYYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-8-4-5-11(9(2)6-8)17-13(15)19-14-16-10(3)7-12(20)18-14/h4-7H,1-3H3,(H4,15,16,17,18,19,20).
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine has a molecular weight of 271.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 135481551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).