1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline

C14H15N3 — CID 121385714

IUPAC1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(-c3cncnc3)ccc21
InChIInChI=1S/C14H15N3/c1-17-6-2-3-12-7-11(4-5-14(12)17)13-8-15-10-16-9-13/h4-5,7-10H,2-3,6H2,1H3
InChIKeyKMXBOEUIAAJSLA-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.53
Rot. Bonds1

About 1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline

1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline (PubChem CID 121385714) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
PubChem CID121385714
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(-c3cncnc3)ccc21
InChIInChI=1S/C14H15N3/c1-17-6-2-3-12-7-11(4-5-14(12)17)13-8-15-10-16-9-13/h4-5,7-10H,2-3,6H2,1H3
InChIKeyKMXBOEUIAAJSLA-UHFFFAOYSA-N
XLogP2.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline (CID 121385714) is 1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline is CN1CCCc2cc(-c3cncnc3)ccc21.
What is the InChIKey of 1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline?
The InChIKey is KMXBOEUIAAJSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-17-6-2-3-12-7-11(4-5-14(12)17)13-8-15-10-16-9-13/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of 1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline?
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline has a molecular weight of 225.30 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121385714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).