6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine

C12H18F3N3 — CID 113461550

IUPAC6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
SMILESCc1cc(NC(C)CC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C12H18F3N3/c1-7(2)11-17-8(3)5-10(18-11)16-9(4)6-12(13,14)15/h5,7,9H,6H2,1-4H3,(H,16,17,18)
InChIKeyYFWWGZNGSMANRR-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.66
Rot. Bonds4

About 6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine

6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine (PubChem CID 113461550) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
PubChem CID113461550
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
SMILESCc1cc(NC(C)CC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C12H18F3N3/c1-7(2)11-17-8(3)5-10(18-11)16-9(4)6-12(13,14)15/h5,7,9H,6H2,1-4H3,(H,16,17,18)
InChIKeyYFWWGZNGSMANRR-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 43419817
N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 79267121
2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113240528
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
2-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 104854561
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
2-N,2-N,2-trimethyl-1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
CID 54941206
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 115697086
6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 79563522
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine (CID 113461550) is 6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine is Cc1cc(NC(C)CC(F)(F)F)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine?
The InChIKey is YFWWGZNGSMANRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-7(2)11-17-8(3)5-10(18-11)16-9(4)6-12(13,14)15/h5,7,9H,6H2,1-4H3,(H,16,17,18).
What are the key properties of 6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine?
6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine has a molecular weight of 261.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 113461550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).