2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C15H22N6 — CID 81000690

IUPAC2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCc1ccccn1
InChIInChI=1S/C15H22N6/c1-10-12(18-9-11-7-5-6-8-17-11)19-14(15(2,3)4)20-13(10)21-16/h5-8H,9,16H2,1-4H3,(H2,18,19,20,21)
InChIKeyBQEOLRWMFODSIX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds4

About 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 81000690) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID81000690
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCc1ccccn1
InChIInChI=1S/C15H22N6/c1-10-12(18-9-11-7-5-6-8-17-11)19-14(15(2,3)4)20-13(10)21-16/h5-8H,9,16H2,1-4H3,(H2,18,19,20,21)
InChIKeyBQEOLRWMFODSIX-UHFFFAOYSA-N
XLogP2.38
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 81000690) is 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is Cc1c(NN)nc(C(C)(C)C)nc1NCc1ccccn1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is BQEOLRWMFODSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-10-12(18-9-11-7-5-6-8-17-11)19-14(15(2,3)4)20-13(10)21-16/h5-8H,9,16H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 81000690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).