5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine

C9H10ClFN4 — CID 136537395

IUPAC5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
SMILESNc1ncnc(N2CCC=C(F)C2)c1Cl
InChIInChI=1S/C9H10ClFN4/c10-7-8(12)13-5-14-9(7)15-3-1-2-6(11)4-15/h2,5H,1,3-4H2,(H2,12,13,14)
InChIKeyLBSUTXDGYOIEBO-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.78
Rot. Bonds1

About 5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine

5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine (PubChem CID 136537395) has the molecular formula C9H10ClFN4 and a molecular weight of 228.66 g/mol. Its IUPAC name is 5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
PubChem CID136537395
Molecular FormulaC9H10ClFN4
Molecular Weight228.66 g/mol
Exact Mass228.06
IUPAC Name5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
SMILESNc1ncnc(N2CCC=C(F)C2)c1Cl
InChIInChI=1S/C9H10ClFN4/c10-7-8(12)13-5-14-9(7)15-3-1-2-6(11)4-15/h2,5H,1,3-4H2,(H2,12,13,14)
InChIKeyLBSUTXDGYOIEBO-UHFFFAOYSA-N
XLogP1.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine (CID 136537395) is 5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine is Nc1ncnc(N2CCC=C(F)C2)c1Cl.
What is the InChIKey of 5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine?
The InChIKey is LBSUTXDGYOIEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN4/c10-7-8(12)13-5-14-9(7)15-3-1-2-6(11)4-15/h2,5H,1,3-4H2,(H2,12,13,14).
What are the key properties of 5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine?
5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine has a molecular weight of 228.66 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 136537395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).