6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

C11H17F3N4 — CID 80935204

IUPAC6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCC(F)(F)F)nc(CC)n1
InChIInChI=1S/C11H17F3N4/c1-3-8-17-9(15-4-2)7-10(18-8)16-6-5-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyAIJSJYVLWMBVTE-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.84
Rot. Bonds6

About 6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (PubChem CID 80935204) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
PubChem CID80935204
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCC(F)(F)F)nc(CC)n1
InChIInChI=1S/C11H17F3N4/c1-3-8-17-9(15-4-2)7-10(18-8)16-6-5-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyAIJSJYVLWMBVTE-UHFFFAOYSA-N
XLogP2.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935134
2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80937540
2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115523284
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828673
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366433
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
6-N,2-diethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80935445
2-(methoxymethyl)-6-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 113401488
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80933212
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (CID 80935204) is 6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is CCNc1cc(NCCC(F)(F)F)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is AIJSJYVLWMBVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-3-8-17-9(15-4-2)7-10(18-8)16-6-5-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80935204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).