6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

C13H21FN4 — CID 103879827

IUPAC6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCC(C)N2CCCC2)c1F
InChIInChI=1S/C13H21FN4/c1-3-11-12(14)13(17-9-16-11)15-8-10(2)18-6-4-5-7-18/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyHCAMLHSZZSQPKL-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.07
Rot. Bonds5

About 6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (PubChem CID 103879827) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
PubChem CID103879827
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC Name6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCC(C)N2CCCC2)c1F
InChIInChI=1S/C13H21FN4/c1-3-11-12(14)13(17-9-16-11)15-8-10(2)18-6-4-5-7-18/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyHCAMLHSZZSQPKL-UHFFFAOYSA-N
XLogP2.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103880216
4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80818981
4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80814271
6-hydrazinyl-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80900343
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121
3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 55111712
N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 113222136
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine
CID 133418990
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103879872
6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 133419771
6-ethyl-5-fluoro-N-hex-5-ynylpyrimidin-4-amine
CID 103880373

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (CID 103879827) is 6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is CCc1ncnc(NCC(C)N2CCCC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is HCAMLHSZZSQPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-3-11-12(14)13(17-9-16-11)15-8-10(2)18-6-4-5-7-18/h9-10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 252.34 g/mol, XLogP of 2.07, 5 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-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 103879827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).