4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H21F3N4 — CID 106771018

IUPAC4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC(C)CN(CC(C)C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-8(2)6-20(7-9(3)4)11-5-10(17)18-12(19-11)13(14,15)16/h5,8-9H,6-7H2,1-4H3,(H2,17,18,19)
InChIKeyXPSCKDSDSQJHHW-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.20
Rot. Bonds5

About 4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771018) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771018
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC(C)CN(CC(C)C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-8(2)6-20(7-9(3)4)11-5-10(17)18-12(19-11)13(14,15)16/h5,8-9H,6-7H2,1-4H3,(H2,17,18,19)
InChIKeyXPSCKDSDSQJHHW-UHFFFAOYSA-N
XLogP3.20
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770656
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773395
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 106769899
2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771829
6-N-(2-methoxyethyl)-6-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717990
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771413
4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771651
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772794
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 106775569
4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967666

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771018) is 4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CC(C)CN(CC(C)C)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is XPSCKDSDSQJHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-8(2)6-20(7-9(3)4)11-5-10(17)18-12(19-11)13(14,15)16/h5,8-9H,6-7H2,1-4H3,(H2,17,18,19).
What are the key properties of 4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).