6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C14H23F3N4 — CID 80790302

IUPAC6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(CC(F)(F)F)C(C)C)c1C(C)C
InChIInChI=1S/C14H23F3N4/c1-6-18-12-11(9(2)3)13(20-8-19-12)21(10(4)5)7-14(15,16)17/h8-10H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyUIXJATPCPHQYJU-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.81
Rot. Bonds6

About 6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80790302) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80790302
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(CC(F)(F)F)C(C)C)c1C(C)C
InChIInChI=1S/C14H23F3N4/c1-6-18-12-11(9(2)3)13(20-8-19-12)21(10(4)5)7-14(15,16)17/h8-10H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyUIXJATPCPHQYJU-UHFFFAOYSA-N
XLogP3.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848616
4-N,6-N-diethyl-4-N-(2-methylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80774341
6-hydrazinyl-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80899159
4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761918
4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80756958
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810135
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80833920
4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 81067670
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784414
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80790302) is 6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1ncnc(N(CC(F)(F)F)C(C)C)c1C(C)C.
What is the InChIKey of 6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is UIXJATPCPHQYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-6-18-12-11(9(2)3)13(20-8-19-12)21(10(4)5)7-14(15,16)17/h8-10H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.81, 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,5-di(propan-2-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80790302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).