2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine

C11H15F2N5 — CID 123397292

IUPAC2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine
SMILESNc1nc(C2CC2)nc(N2CCC(F)(F)C2)c1N
InChIInChI=1S/C11H15F2N5/c12-11(13)3-4-18(5-11)10-7(14)8(15)16-9(17-10)6-1-2-6/h6H,1-5,14H2,(H2,15,16,17)
InChIKeyQRWVMNDKJSNMCH-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.36
Rot. Bonds2

About 2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine

2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 123397292) has the molecular formula C11H15F2N5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine
PubChem CID123397292
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC Name2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine
SMILESNc1nc(C2CC2)nc(N2CCC(F)(F)C2)c1N
InChIInChI=1S/C11H15F2N5/c12-11(13)3-4-18(5-11)10-7(14)8(15)16-9(17-10)6-1-2-6/h6H,1-5,14H2,(H2,15,16,17)
InChIKeyQRWVMNDKJSNMCH-UHFFFAOYSA-N
XLogP1.36
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine (CID 123397292) is 2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine is Nc1nc(C2CC2)nc(N2CCC(F)(F)C2)c1N.
What is the InChIKey of 2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is QRWVMNDKJSNMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5/c12-11(13)3-4-18(5-11)10-7(14)8(15)16-9(17-10)6-1-2-6/h6H,1-5,14H2,(H2,15,16,17).
What are the key properties of 2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine?
2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 255.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 123397292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).