2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine

C15H18N4 — CID 171632812

IUPAC2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCCC1CCc2cc(-c3ncccn3)c(C)nc2N1
InChIInChI=1S/C15H18N4/c1-3-12-6-5-11-9-13(10(2)18-14(11)19-12)15-16-7-4-8-17-15/h4,7-9,12H,3,5-6H2,1-2H3,(H,18,19)
InChIKeySKIWIGLJUYGKJS-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.98
Rot. Bonds2

About 2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine

2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 171632812) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID171632812
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCCC1CCc2cc(-c3ncccn3)c(C)nc2N1
InChIInChI=1S/C15H18N4/c1-3-12-6-5-11-9-13(10(2)18-14(11)19-12)15-16-7-4-8-17-15/h4,7-9,12H,3,5-6H2,1-2H3,(H,18,19)
InChIKeySKIWIGLJUYGKJS-UHFFFAOYSA-N
XLogP2.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1'-deuterio-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]
CID 175881189
(2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium
CID 163552532
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62746577
2-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 90142368
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 142935353
(2R)-7-methyl-6-(2-methyltetrazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]
CID 166585557
2-methyl-4,6-di(pyrimidin-2-yl)pyrimidine
CID 118243269
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpyridin-3-amine
CID 114049651
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylpyrimidin-4-amine
CID 80936065
2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 166669211
ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine
CID 142013132

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 171632812) is 2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine is CCC1CCc2cc(-c3ncccn3)c(C)nc2N1.
What is the InChIKey of 2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is SKIWIGLJUYGKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-12-6-5-11-9-13(10(2)18-14(11)19-12)15-16-7-4-8-17-15/h4,7-9,12H,3,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine?
2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 254.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 171632812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).