5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

C10H16F3N5O2 — CID 68785084

IUPAC5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
SMILESCN(C)CCc1cnc(N)nc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15N5.C2HF3O2/c1-13(2)4-3-6-5-11-8(10)12-7(6)9;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3,(H4,9,10,11,12);(H,6,7)
InChIKeyQOUXKMDCKRMABI-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.38
Rot. Bonds3

About 5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid (PubChem CID 68785084) has the molecular formula C10H16F3N5O2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
PubChem CID68785084
Molecular FormulaC10H16F3N5O2
Molecular Weight295.26 g/mol
Exact Mass295.13
IUPAC Name5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
SMILESCN(C)CCc1cnc(N)nc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15N5.C2HF3O2/c1-13(2)4-3-6-5-11-8(10)12-7(6)9;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3,(H4,9,10,11,12);(H,6,7)
InChIKeyQOUXKMDCKRMABI-UHFFFAOYSA-N
XLogP0.38
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid (CID 68785084) is 5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid is CN(C)CCc1cnc(N)nc1N.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is QOUXKMDCKRMABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5.C2HF3O2/c1-13(2)4-3-6-5-11-8(10)12-7(6)9;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3,(H4,9,10,11,12);(H,6,7).
What are the key properties of 5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 295.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68785084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).