6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine

C16H19FN4 — CID 167757648

IUPAC6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccc3c(n2)CCCC3)c1F
InChIInChI=1S/C16H19FN4/c1-2-13-15(17)16(20-10-19-13)18-9-12-8-7-11-5-3-4-6-14(11)21-12/h7-8,10H,2-6,9H2,1H3,(H,18,19,20)
InChIKeyUVTFRJCSVXDRSZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.06
Rot. Bonds4

About 6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 167757648) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine
PubChem CID167757648
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccc3c(n2)CCCC3)c1F
InChIInChI=1S/C16H19FN4/c1-2-13-15(17)16(20-10-19-13)18-9-12-8-7-11-5-3-4-6-14(11)21-12/h7-8,10H,2-6,9H2,1H3,(H,18,19,20)
InChIKeyUVTFRJCSVXDRSZ-UHFFFAOYSA-N
XLogP3.06
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.06
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-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine (CID 167757648) is 6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine is CCc1ncnc(NCc2ccc3c(n2)CCCC3)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is UVTFRJCSVXDRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-2-13-15(17)16(20-10-19-13)18-9-12-8-7-11-5-3-4-6-14(11)21-12/h7-8,10H,2-6,9H2,1H3,(H,18,19,20).
What are the key properties of 6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 286.35 g/mol, XLogP of 3.06, 4 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-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 167757648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).