4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine

C12H20FN5 — CID 80820695

IUPAC4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
SMILESCCN1CCC(N(C)c2nc(N)ncc2F)CC1
InChIInChI=1S/C12H20FN5/c1-3-18-6-4-9(5-7-18)17(2)11-10(13)8-15-12(14)16-11/h8-9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyRTPVQNNCQWDEGY-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.12
Rot. Bonds3

About 4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine

4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80820695) has the molecular formula C12H20FN5 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
PubChem CID80820695
Molecular FormulaC12H20FN5
Molecular Weight253.32 g/mol
Exact Mass253.17
IUPAC Name4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
SMILESCCN1CCC(N(C)c2nc(N)ncc2F)CC1
InChIInChI=1S/C12H20FN5/c1-3-18-6-4-9(5-7-18)17(2)11-10(13)8-15-12(14)16-11/h8-9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyRTPVQNNCQWDEGY-UHFFFAOYSA-N
XLogP1.12
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine (CID 80820695) is 4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine is CCN1CCC(N(C)c2nc(N)ncc2F)CC1.
What is the InChIKey of 4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is RTPVQNNCQWDEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5/c1-3-18-6-4-9(5-7-18)17(2)11-10(13)8-15-12(14)16-11/h8-9H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 253.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethylpiperidin-4-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80820695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).