5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)

C11H15F6N5O4 — CID 87573940

IUPAC5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(N)Cc1cnc(N)nc1N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N5.2C2HF3O2/c1-4(8)2-5-3-11-7(10)12-6(5)9;2*3-2(4,5)1(6)7/h3-4H,2,8H2,1H3,(H4,9,10,11,12);2*(H,6,7)
InChIKeyMRCGECFCUAIMGM-UHFFFAOYSA-N
MW395.26 g/mol
LogP0.80
Rot. Bonds2

About 5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)

5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87573940) has the molecular formula C11H15F6N5O4 and a molecular weight of 395.26 g/mol. Its IUPAC name is 5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87573940
Molecular FormulaC11H15F6N5O4
Molecular Weight395.26 g/mol
Exact Mass395.10
IUPAC Name5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(N)Cc1cnc(N)nc1N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N5.2C2HF3O2/c1-4(8)2-5-3-11-7(10)12-6(5)9;2*3-2(4,5)1(6)7/h3-4H,2,8H2,1H3,(H4,9,10,11,12);2*(H,6,7)
InChIKeyMRCGECFCUAIMGM-UHFFFAOYSA-N
XLogP0.80
TPSA178.44 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 50.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid) (CID 87573940) is 5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid) is CC(N)Cc1cnc(N)nc1N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is MRCGECFCUAIMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5.2C2HF3O2/c1-4(8)2-5-3-11-7(10)12-6(5)9;2*3-2(4,5)1(6)7/h3-4H,2,8H2,1H3,(H4,9,10,11,12);2*(H,6,7).
What are the key properties of 5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)?
5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 395.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87573940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).