[6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium

C16H22N5+ — CID 143804286

IUPAC[6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium
SMILES[H]/N=C(\c1ccccc1C)c1c(N)ncnc1[NH2+]C(C)(C)C
InChIInChI=1S/C16H21N5/c1-10-7-5-6-8-11(10)13(17)12-14(18)19-9-20-15(12)21-16(2,3)4/h5-9,17H,1-4H3,(H3,18,19,20,21)/p+1/b17-13+
InChIKeyHQIIIPABKAOPTC-GHRIWEEISA-O
MW284.39 g/mol
LogP1.78
Rot. Bonds3

About [6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium

[6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium (PubChem CID 143804286) has the molecular formula C16H22N5+ and a molecular weight of 284.39 g/mol. Its IUPAC name is [6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium.

Molecular Properties

Compound Name[6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium
PubChem CID143804286
Molecular FormulaC16H22N5+
Molecular Weight284.39 g/mol
Exact Mass284.19
IUPAC Name[6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium
SMILES[H]/N=C(\c1ccccc1C)c1c(N)ncnc1[NH2+]C(C)(C)C
InChIInChI=1S/C16H21N5/c1-10-7-5-6-8-11(10)13(17)12-14(18)19-9-20-15(12)21-16(2,3)4/h5-9,17H,1-4H3,(H3,18,19,20,21)/p+1/b17-13+
InChIKeyHQIIIPABKAOPTC-GHRIWEEISA-O
XLogP1.78
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium?
The IUPAC name of [6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium (CID 143804286) is [6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium.
What is the SMILES notation for [6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium?
The canonical SMILES for [6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium is [H]/N=C(\c1ccccc1C)c1c(N)ncnc1[NH2+]C(C)(C)C.
What is the InChIKey of [6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium?
The InChIKey is HQIIIPABKAOPTC-GHRIWEEISA-O. The full InChI is InChI=1S/C16H21N5/c1-10-7-5-6-8-11(10)13(17)12-14(18)19-9-20-15(12)21-16(2,3)4/h5-9,17H,1-4H3,(H3,18,19,20,21)/p+1/b17-13+.
What are the key properties of [6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium?
[6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium has a molecular weight of 284.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-5-(2-methylbenzenecarboximidoyl)pyrimidin-4-yl]-tert-butylazanium is sourced from PubChem (CID 143804286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).