6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine

C11H17F3N6 — CID 67156886

IUPAC6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCC(F)(F)F)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C11H17F3N6/c12-11(13,14)2-3-17-8-5-9(19-10(16)18-8)20-4-1-7(15)6-20/h5,7H,1-4,6,15H2,(H3,16,17,18,19)/t7-/m1/s1
InChIKeyPHZRCDBRPPNWPI-SSDOTTSWSA-N
MW290.29 g/mol
LogP0.96
Rot. Bonds4

About 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine

6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine (PubChem CID 67156886) has the molecular formula C11H17F3N6 and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
PubChem CID67156886
Molecular FormulaC11H17F3N6
Molecular Weight290.29 g/mol
Exact Mass290.15
IUPAC Name6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCC(F)(F)F)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C11H17F3N6/c12-11(13,14)2-3-17-8-5-9(19-10(16)18-8)20-4-1-7(15)6-20/h5,7H,1-4,6,15H2,(H3,16,17,18,19)/t7-/m1/s1
InChIKeyPHZRCDBRPPNWPI-SSDOTTSWSA-N
XLogP0.96
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine (CID 67156886) is 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine is Nc1nc(NCCC(F)(F)F)cc(N2CC[C@@H](N)C2)n1.
What is the InChIKey of 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The InChIKey is PHZRCDBRPPNWPI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17F3N6/c12-11(13,14)2-3-17-8-5-9(19-10(16)18-8)20-4-1-7(15)6-20/h5,7H,1-4,6,15H2,(H3,16,17,18,19)/t7-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine has a molecular weight of 290.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67156886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).