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

C11H15F2N5 — CID 122456400

IUPAC5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(C2CC2)c(N2CCC(F)(F)C2)n1
InChIInChI=1S/C11H15F2N5/c12-11(13)3-4-18(5-11)9-7(6-1-2-6)8(14)16-10(15)17-9/h6H,1-5H2,(H4,14,15,16,17)
InChIKeyVFSJGJPFCKFSOA-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.36
Rot. Bonds2

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

5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine (PubChem CID 122456400) has the molecular formula C11H15F2N5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine
PubChem CID122456400
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC Name5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(C2CC2)c(N2CCC(F)(F)C2)n1
InChIInChI=1S/C11H15F2N5/c12-11(13)3-4-18(5-11)9-7(6-1-2-6)8(14)16-10(15)17-9/h6H,1-5H2,(H4,14,15,16,17)
InChIKeyVFSJGJPFCKFSOA-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 5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine (CID 122456400) is 5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine is Nc1nc(N)c(C2CC2)c(N2CCC(F)(F)C2)n1.
What is the InChIKey of 5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is VFSJGJPFCKFSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5/c12-11(13)3-4-18(5-11)9-7(6-1-2-6)8(14)16-10(15)17-9/h6H,1-5H2,(H4,14,15,16,17).
What are the key properties of 5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine?
5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-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 5-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 122456400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).