6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine

C11H17F2N5 — CID 122456421

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(N2CCC(F)(F)C2)nc(N)n1
InChIInChI=1S/C11H17F2N5/c1-7(2)15-8-5-9(17-10(14)16-8)18-4-3-11(12,13)6-18/h5,7H,3-4,6H2,1-2H3,(H3,14,15,16,17)
InChIKeyIZLZOVQACRJRER-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.72
Rot. Bonds3

About 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine

6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 122456421) has the molecular formula C11H17F2N5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID122456421
Molecular FormulaC11H17F2N5
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(N2CCC(F)(F)C2)nc(N)n1
InChIInChI=1S/C11H17F2N5/c1-7(2)15-8-5-9(17-10(14)16-8)18-4-3-11(12,13)6-18/h5,7H,3-4,6H2,1-2H3,(H3,14,15,16,17)
InChIKeyIZLZOVQACRJRER-UHFFFAOYSA-N
XLogP1.72
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 122456421) is 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1cc(N2CCC(F)(F)C2)nc(N)n1.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is IZLZOVQACRJRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5/c1-7(2)15-8-5-9(17-10(14)16-8)18-4-3-11(12,13)6-18/h5,7H,3-4,6H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 257.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 122456421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).