2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine

C14H17N5O2 — CID 135473118

IUPAC2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(C)cc2)n1
InChIInChI=1S/C14H17N5O2/c1-9-3-5-10(6-4-9)16-13(15)19-14-17-11(8-21-2)7-12(20)18-14/h3-7H,8H2,1-2H3,(H4,15,16,17,18,19,20)
InChIKeyTVVKLIKJOPJUQU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.28
Rot. Bonds4

About 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine

2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine (PubChem CID 135473118) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine
PubChem CID135473118
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(C)cc2)n1
InChIInChI=1S/C14H17N5O2/c1-9-3-5-10(6-4-9)16-13(15)19-14-17-11(8-21-2)7-12(20)18-14/h3-7H,8H2,1-2H3,(H4,15,16,17,18,19,20)
InChIKeyTVVKLIKJOPJUQU-UHFFFAOYSA-N
XLogP1.28
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
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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Related Compounds

6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
N-(2,6-difluorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine
CID 135473113
6-methyl-5-(3-methylbutyl)-2-[(4-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135462206
2-[(4-butylphenyl)amino]-6-propyl-4(3H)-pyrimidinone
CID 135509364
N-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)phenyl]acetamide
CID 136245108
Methyl(2-{[imino(4-isopropylanilino)methyl]amino}-6-oxo-3,6-dihydro-4-pyrimidinyl)acetate
CID 135460480
N-[6-(methoxymethyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]-N''-(3-methylphenyl)guanidine
CID 135481555
methyl {2-[N'-(4-methylphenyl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate
CID 135473416
2-p-Tolylamino-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135399526
2-Amino-5-ethyl-6-(o-tolylamino)pyrimidin-4(1H)-one
CID 135408562
2-Amino-5-nitroso-6-(4-toluidino)-4-pyrimidinol
CID 135408648
1-(4-Fluorophenyl)-3-(4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl)guanidine
CID 135490148

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine (CID 135473118) is 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine is COCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine?
The InChIKey is TVVKLIKJOPJUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-3-5-10(6-4-9)16-13(15)19-14-17-11(8-21-2)7-12(20)18-14/h3-7H,8H2,1-2H3,(H4,15,16,17,18,19,20).
What are the key properties of 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine?
2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine has a molecular weight of 287.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 135473118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).