6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine

C13H20FN3 — CID 103880378

IUPAC6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCCCC1(CNc2ncnc(CC)c2F)CC1
InChIInChI=1S/C13H20FN3/c1-3-5-13(6-7-13)8-15-12-11(14)10(4-2)16-9-17-12/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyVQZCJVFZDTYXTM-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.17
Rot. Bonds6

About 6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 103880378) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID103880378
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCCCC1(CNc2ncnc(CC)c2F)CC1
InChIInChI=1S/C13H20FN3/c1-3-5-13(6-7-13)8-15-12-11(14)10(4-2)16-9-17-12/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyVQZCJVFZDTYXTM-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine (CID 103880378) is 6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine is CCCC1(CNc2ncnc(CC)c2F)CC1.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is VQZCJVFZDTYXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-3-5-13(6-7-13)8-15-12-11(14)10(4-2)16-9-17-12/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 237.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103880378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).