6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline

C20H22N4 — CID 95829818

IUPAC6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
SMILESCc1cc(C)nc([C@H]2CCN(Cc3ccc4ncccc4c3)C2)n1
InChIInChI=1S/C20H22N4/c1-14-10-15(2)23-20(22-14)18-7-9-24(13-18)12-16-5-6-19-17(11-16)4-3-8-21-19/h3-6,8,10-11,18H,7,9,12-13H2,1-2H3/t18-/m0/s1
InChIKeyOOXUUHKKYCPNNK-SFHVURJKSA-N
MW318.42 g/mol
LogP3.63
Rot. Bonds3

About 6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline

6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline (PubChem CID 95829818) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
PubChem CID95829818
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
SMILESCc1cc(C)nc([C@H]2CCN(Cc3ccc4ncccc4c3)C2)n1
InChIInChI=1S/C20H22N4/c1-14-10-15(2)23-20(22-14)18-7-9-24(13-18)12-16-5-6-19-17(11-16)4-3-8-21-19/h3-6,8,10-11,18H,7,9,12-13H2,1-2H3/t18-/m0/s1
InChIKeyOOXUUHKKYCPNNK-SFHVURJKSA-N
XLogP3.63
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imiquimod
CID 57469
6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
Ngd-8243
CID 11247522
Pazelliptine
CID 68853
CR-4056
CID 24898732
CP-154526
CID 5311055
PF-04254644
CID 24871823
Bag-956
CID 24882589
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
Sri-9439
CID 446752
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline (CID 95829818) is 6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline is Cc1cc(C)nc([C@H]2CCN(Cc3ccc4ncccc4c3)C2)n1.
What is the InChIKey of 6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline?
The InChIKey is OOXUUHKKYCPNNK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4/c1-14-10-15(2)23-20(22-14)18-7-9-24(13-18)12-16-5-6-19-17(11-16)4-3-8-21-19/h3-6,8,10-11,18H,7,9,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of 6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline?
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline has a molecular weight of 318.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 95829818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).