2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C12H20F3N5 — CID 80968252

IUPAC2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCN(CCC(F)(F)F)c1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C12H20F3N5/c1-11(2,3)10-17-8(19-16)7-9(18-10)20(4)6-5-12(13,14)15/h7H,5-6,16H2,1-4H3,(H,17,18,19)
InChIKeyJBVCENYQGFZOKY-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.45
Rot. Bonds4

About 2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 80968252) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID80968252
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Name2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCN(CCC(F)(F)F)c1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C12H20F3N5/c1-11(2,3)10-17-8(19-16)7-9(18-10)20(4)6-5-12(13,14)15/h7H,5-6,16H2,1-4H3,(H,17,18,19)
InChIKeyJBVCENYQGFZOKY-UHFFFAOYSA-N
XLogP2.45
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
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-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80964814
N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106775714
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80964711
6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrazin-2-amine
CID 80924055
6-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775663
2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80965194
4-N,6-N,2-trimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80846708
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506
6-hydrazinyl-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775982
2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957496
6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80959784

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 80968252) is 2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CN(CCC(F)(F)F)c1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is JBVCENYQGFZOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-11(2,3)10-17-8(19-16)7-9(18-10)20(4)6-5-12(13,14)15/h7H,5-6,16H2,1-4H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 80968252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).