6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine

C15H25FN4 — CID 133419771

IUPAC6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCC2CCN(CC(C)C)C2)c1F
InChIInChI=1S/C15H25FN4/c1-4-13-14(16)15(19-10-18-13)17-7-12-5-6-20(9-12)8-11(2)3/h10-12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyGIGVRLDINSFEQA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.57
Rot. Bonds6

About 6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 133419771) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID133419771
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCC2CCN(CC(C)C)C2)c1F
InChIInChI=1S/C15H25FN4/c1-4-13-14(16)15(19-10-18-13)17-7-12-5-6-20(9-12)8-11(2)3/h10-12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyGIGVRLDINSFEQA-UHFFFAOYSA-N
XLogP2.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine (CID 133419771) is 6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine is CCc1ncnc(NCC2CCN(CC(C)C)C2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is GIGVRLDINSFEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-4-13-14(16)15(19-10-18-13)17-7-12-5-6-20(9-12)8-11(2)3/h10-12H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 280.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133419771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).