N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

C11H21N5 — CID 80930410

IUPACN-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1NC(C)(C)C
InChIInChI=1S/C11H21N5/c1-7(2)8-9(15-11(3,4)5)13-6-14-10(8)16-12/h6-7H,12H2,1-5H3,(H2,13,14,15,16)
InChIKeyGIJPEJZHRNMJCS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.10
Rot. Bonds3

About N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80930410) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80930410
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1NC(C)(C)C
InChIInChI=1S/C11H21N5/c1-7(2)8-9(15-11(3,4)5)13-6-14-10(8)16-12/h6-7H,12H2,1-5H3,(H2,13,14,15,16)
InChIKeyGIJPEJZHRNMJCS-UHFFFAOYSA-N
XLogP2.10
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83027639
6-hydrazinyl-N-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 80906560
N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80908900
6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988
5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138739
6-hydrazinyl-5-propan-2-yl-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 80923075
1-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80908970
2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80924426
3-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138684
6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 80902596
6-hydrazinyl-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80900343

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (CID 80930410) is N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(NN)ncnc1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is GIJPEJZHRNMJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-7(2)8-9(15-11(3,4)5)13-6-14-10(8)16-12/h6-7H,12H2,1-5H3,(H2,13,14,15,16).
What are the key properties of N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80930410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).