6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C11H18F3N5 — CID 81006788

IUPAC6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1NCCC(F)(F)F
InChIInChI=1S/C11H18F3N5/c1-6(2)8-17-9(7(3)10(18-8)19-15)16-5-4-11(12,13)14/h6H,4-5,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyBQRBPSFYYZVIJA-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.56
Rot. Bonds5

About 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 81006788) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID81006788
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC Name6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1NCCC(F)(F)F
InChIInChI=1S/C11H18F3N5/c1-6(2)8-17-9(7(3)10(18-8)19-15)16-5-4-11(12,13)14/h6H,4-5,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyBQRBPSFYYZVIJA-UHFFFAOYSA-N
XLogP2.56
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.56
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

2-tert-butyl-6-hydrazinyl-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006696
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001779
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106847086
6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115523268
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 107324334
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001481
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163644
3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 81006974
1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159831
N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006057

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 81006788) is 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is Cc1c(NN)nc(C(C)C)nc1NCCC(F)(F)F.
What is the InChIKey of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is BQRBPSFYYZVIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-6(2)8-17-9(7(3)10(18-8)19-15)16-5-4-11(12,13)14/h6H,4-5,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 81006788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).