4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine

C14H16N6 — CID 59718934

IUPAC4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(-n2nnc3ccccc32)n1
InChIInChI=1S/C14H16N6/c1-10(2)9-16-14-15-8-7-13(17-14)20-12-6-4-3-5-11(12)18-19-20/h3-8,10H,9H2,1-2H3,(H,15,16,17)
InChIKeyNVOVYXNYRNZUCG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.28
Rot. Bonds4

About 4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine

4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 59718934) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID59718934
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CNc1nccc(-n2nnc3ccccc32)n1
InChIInChI=1S/C14H16N6/c1-10(2)9-16-14-15-8-7-13(17-14)20-12-6-4-3-5-11(12)18-19-20/h3-8,10H,9H2,1-2H3,(H,15,16,17)
InChIKeyNVOVYXNYRNZUCG-UHFFFAOYSA-N
XLogP2.28
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine (CID 59718934) is 4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine is CC(C)CNc1nccc(-n2nnc3ccccc32)n1.
What is the InChIKey of 4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is NVOVYXNYRNZUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-10(2)9-16-14-15-8-7-13(17-14)20-12-6-4-3-5-11(12)18-19-20/h3-8,10H,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine?
4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 59718934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).