2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine

C12H13N5O — CID 135527586

IUPAC2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine
SMILESCc1cc(=O)[nH]c(N=C(N)Nc2ccccc2)n1
InChIInChI=1S/C12H13N5O/c1-8-7-10(18)16-12(14-8)17-11(13)15-9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,15,16,17,18)
InChIKeyJPYAJXKPGDZAIN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.14
Rot. Bonds2

About 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine

2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine (PubChem CID 135527586) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine
PubChem CID135527586
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine
SMILESCc1cc(=O)[nH]c(N=C(N)Nc2ccccc2)n1
InChIInChI=1S/C12H13N5O/c1-8-7-10(18)16-12(14-8)17-11(13)15-9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,15,16,17,18)
InChIKeyJPYAJXKPGDZAIN-UHFFFAOYSA-N
XLogP1.14
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.14
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

Diphenylguanidine
CID 7594
4,6-Diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
CID 19931
2-(Methylanilino)-4-pyrimidinol
CID 824717
Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
N-((Phenylamino)carbonyl)acetamide
CID 66877
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
6-anilino-3-methyl-1H-pyrimidine-2,4-dione
CID 777246
6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
6-Amino-2-(4-phenyl-1-piperazinyl)-4-pyrimidinol
CID 135400065
2,4-Diamino-6-hydroxy-5-phenylazopyrimidine
CID 135403411
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
2-N-Anilino-4-hydroxy-6-methylpyrimidine
CID 135416215

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine?
The IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine (CID 135527586) is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine?
The canonical SMILES for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine is Cc1cc(=O)[nH]c(N=C(N)Nc2ccccc2)n1.
What is the InChIKey of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine?
The InChIKey is JPYAJXKPGDZAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-7-10(18)16-12(14-8)17-11(13)15-9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,15,16,17,18).
What are the key properties of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine?
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine has a molecular weight of 243.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine is sourced from PubChem (CID 135527586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).