[4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium

C12H18F2N5+ — CID 163969482

IUPAC[4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium
SMILESC[NH2+]c1c(N)nc(C2CC2)nc1N1CCC(F)(F)C1
InChIInChI=1S/C12H17F2N5/c1-16-8-9(15)17-10(7-2-3-7)18-11(8)19-5-4-12(13,14)6-19/h7,16H,2-6H2,1H3,(H2,15,17,18)/p+1
InChIKeySOSLGNPFTWQVDP-UHFFFAOYSA-O
MW270.31 g/mol
LogP0.61
Rot. Bonds3

About [4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium

[4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium (PubChem CID 163969482) has the molecular formula C12H18F2N5+ and a molecular weight of 270.31 g/mol. Its IUPAC name is [4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium.

Molecular Properties

Compound Name[4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium
PubChem CID163969482
Molecular FormulaC12H18F2N5+
Molecular Weight270.31 g/mol
Exact Mass270.15
IUPAC Name[4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium
SMILESC[NH2+]c1c(N)nc(C2CC2)nc1N1CCC(F)(F)C1
InChIInChI=1S/C12H17F2N5/c1-16-8-9(15)17-10(7-2-3-7)18-11(8)19-5-4-12(13,14)6-19/h7,16H,2-6H2,1H3,(H2,15,17,18)/p+1
InChIKeySOSLGNPFTWQVDP-UHFFFAOYSA-O
XLogP0.61
TPSA71.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium?
The IUPAC name of [4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium (CID 163969482) is [4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium.
What is the SMILES notation for [4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium?
The canonical SMILES for [4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium is C[NH2+]c1c(N)nc(C2CC2)nc1N1CCC(F)(F)C1.
What is the InChIKey of [4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium?
The InChIKey is SOSLGNPFTWQVDP-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17F2N5/c1-16-8-9(15)17-10(7-2-3-7)18-11(8)19-5-4-12(13,14)6-19/h7,16H,2-6H2,1H3,(H2,15,17,18)/p+1.
What are the key properties of [4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium?
[4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium has a molecular weight of 270.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium is sourced from PubChem (CID 163969482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).