2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine

C18H20F2N4 — CID 133299085

IUPAC2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESFc1ccc(N2CCC(CNc3ccnc(C4CC4)n3)C2)cc1F
InChIInChI=1S/C18H20F2N4/c19-15-4-3-14(9-16(15)20)24-8-6-12(11-24)10-22-17-5-7-21-18(23-17)13-1-2-13/h3-5,7,9,12-13H,1-2,6,8,10-11H2,(H,21,22,23)
InChIKeySAPSNBJCQJIVCA-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.57
Rot. Bonds5

About 2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine

2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 133299085) has the molecular formula C18H20F2N4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID133299085
Molecular FormulaC18H20F2N4
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC Name2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESFc1ccc(N2CCC(CNc3ccnc(C4CC4)n3)C2)cc1F
InChIInChI=1S/C18H20F2N4/c19-15-4-3-14(9-16(15)20)24-8-6-12(11-24)10-22-17-5-7-21-18(23-17)13-1-2-13/h3-5,7,9,12-13H,1-2,6,8,10-11H2,(H,21,22,23)
InChIKeySAPSNBJCQJIVCA-UHFFFAOYSA-N
XLogP3.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine (CID 133299085) is 2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine is Fc1ccc(N2CCC(CNc3ccnc(C4CC4)n3)C2)cc1F.
What is the InChIKey of 2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is SAPSNBJCQJIVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4/c19-15-4-3-14(9-16(15)20)24-8-6-12(11-24)10-22-17-5-7-21-18(23-17)13-1-2-13/h3-5,7,9,12-13H,1-2,6,8,10-11H2,(H,21,22,23).
What are the key properties of 2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 330.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133299085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).