6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

C13H21F3N4 — CID 80959784

IUPAC6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)CCC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C13H21F3N4/c1-5-17-10-8-11(19-12(18-10)9(2)3)20(4)7-6-13(14,15)16/h8-9H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyXQHPXCPLYYHYBW-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.42
Rot. Bonds6

About 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (PubChem CID 80959784) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
PubChem CID80959784
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)CCC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C13H21F3N4/c1-5-17-10-8-11(19-12(18-10)9(2)3)20(4)7-6-13(14,15)16/h8-9H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyXQHPXCPLYYHYBW-UHFFFAOYSA-N
XLogP3.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine with MolForge

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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
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918578
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961199
6-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967785
4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80949421
2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine
CID 80846784
6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956228
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol
CID 106773156
2-[ethyl-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80960984
N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80969280
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80961038

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (CID 80959784) is 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is CCNc1cc(N(C)CCC(F)(F)F)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is XQHPXCPLYYHYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-5-17-10-8-11(19-12(18-10)9(2)3)20(4)7-6-13(14,15)16/h8-9H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80959784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).