4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H20F3N5 — CID 106770425

IUPAC4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(C)CC(C)(C)CNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H20F3N5/c1-11(2,7-20(3)4)6-17-9-5-8(16)18-10(19-9)12(13,14)15/h5H,6-7H2,1-4H3,(H3,16,17,18,19)
InChIKeyPQPDSQQQVOYHDQ-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.08
Rot. Bonds5

About 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770425) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770425
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(C)CC(C)(C)CNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H20F3N5/c1-11(2,7-20(3)4)6-17-9-5-8(16)18-10(19-9)12(13,14)15/h5H,6-7H2,1-4H3,(H3,16,17,18,19)
InChIKeyPQPDSQQQVOYHDQ-UHFFFAOYSA-N
XLogP2.08
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 106772283
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771783
N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 114562209
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80949365
2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine
CID 80961925
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773341
1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 106773118
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106411589
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770425) is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CN(C)CC(C)(C)CNc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is PQPDSQQQVOYHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-11(2,7-20(3)4)6-17-9-5-8(16)18-10(19-9)12(13,14)15/h5H,6-7H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 291.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).