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

C16H20FN5 — CID 133421395

IUPAC6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine
SMILESCCc1ncnc(Nc2ccc(N3CCCC3)nc2C)c1F
InChIInChI=1S/C16H20FN5/c1-3-12-15(17)16(19-10-18-12)21-13-6-7-14(20-11(13)2)22-8-4-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,21)
InChIKeyABELWGYLEOWHTA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.23
Rot. Bonds4

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

6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 133421395) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine
PubChem CID133421395
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine
SMILESCCc1ncnc(Nc2ccc(N3CCCC3)nc2C)c1F
InChIInChI=1S/C16H20FN5/c1-3-12-15(17)16(19-10-18-12)21-13-6-7-14(20-11(13)2)22-8-4-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,21)
InChIKeyABELWGYLEOWHTA-UHFFFAOYSA-N
XLogP3.23
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine (CID 133421395) is 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine is CCc1ncnc(Nc2ccc(N3CCCC3)nc2C)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is ABELWGYLEOWHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-3-12-15(17)16(19-10-18-12)21-13-6-7-14(20-11(13)2)22-8-4-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 301.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 133421395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).