[amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium

C14H18N5O+ — CID 135522600

IUPAC[amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium
SMILESCc1cccc(NC(N)=[NH+]c2nc(C)c(C)c(=O)[nH]2)c1
InChIInChI=1S/C14H17N5O/c1-8-5-4-6-11(7-8)17-13(15)19-14-16-10(3)9(2)12(20)18-14/h4-7H,1-3H3,(H4,15,16,17,18,19,20)/p+1
InChIKeyMFQKXHSXVOWNCY-UHFFFAOYSA-O
MW272.33 g/mol
LogP-0.17
Rot. Bonds2

About [amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium

[amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium (PubChem CID 135522600) has the molecular formula C14H18N5O+ and a molecular weight of 272.33 g/mol. Its IUPAC name is [amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium.

Molecular Properties

Compound Name[amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium
PubChem CID135522600
Molecular FormulaC14H18N5O+
Molecular Weight272.33 g/mol
Exact Mass272.15
IUPAC Name[amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium
SMILESCc1cccc(NC(N)=[NH+]c2nc(C)c(C)c(=O)[nH]2)c1
InChIInChI=1S/C14H17N5O/c1-8-5-4-6-11(7-8)17-13(15)19-14-16-10(3)9(2)12(20)18-14/h4-7H,1-3H3,(H4,15,16,17,18,19,20)/p+1
InChIKeyMFQKXHSXVOWNCY-UHFFFAOYSA-O
XLogP-0.17
TPSA97.77 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

[amino-(3-methylanilino)methylidene]-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)azanium
CID 135441043
1-(3-chlorophenyl)-2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135486398
[amino-(4-chloroanilino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium
CID 135708314
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 137276879
[amino(anilino)methylidene]-[4-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidin-2-yl]azanium
CID 135500238
N-(3-methylphenyl)acetamide
CID 10843
N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 53016080
2-(3-methylanilino)-2-sulfanylideneacetamide
CID 17385629
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794

Frequently Asked Questions

What is the IUPAC name of [amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium?
The IUPAC name of [amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium (CID 135522600) is [amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium.
What is the SMILES notation for [amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium?
The canonical SMILES for [amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium is Cc1cccc(NC(N)=[NH+]c2nc(C)c(C)c(=O)[nH]2)c1.
What is the InChIKey of [amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium?
The InChIKey is MFQKXHSXVOWNCY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17N5O/c1-8-5-4-6-11(7-8)17-13(15)19-14-16-10(3)9(2)12(20)18-14/h4-7H,1-3H3,(H4,15,16,17,18,19,20)/p+1.
What are the key properties of [amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium?
[amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium has a molecular weight of 272.33 g/mol, XLogP of -0.17, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(3-methylanilino)methylidene]-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)azanium is sourced from PubChem (CID 135522600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).