2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C15H22N6 — CID 81000914

IUPAC2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCc1cccnc1
InChIInChI=1S/C15H22N6/c1-10-12(18-9-11-6-5-7-17-8-11)19-14(15(2,3)4)20-13(10)21-16/h5-8H,9,16H2,1-4H3,(H2,18,19,20,21)
InChIKeyXDHKTMLSIYAULM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds4

About 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 81000914) 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-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID81000914
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCc1cccnc1
InChIInChI=1S/C15H22N6/c1-10-12(18-9-11-6-5-7-17-8-11)19-14(15(2,3)4)20-13(10)21-16/h5-8H,9,16H2,1-4H3,(H2,18,19,20,21)
InChIKeyXDHKTMLSIYAULM-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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Related Compounds

2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80969342
2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 81000690
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 114043542
6-hydrazinyl-2,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114958033
[6-ethyl-5-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 63559686
2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 140906921
2-tert-butyl-4-N-[(3-chlorophenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80985280
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128
2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
CID 70165419

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 81000914) is 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Cc1c(NN)nc(C(C)(C)C)nc1NCc1cccnc1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is XDHKTMLSIYAULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-10-12(18-9-11-6-5-7-17-8-11)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-3-ylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-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-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 81000914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).