6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one

C25H31ClN6O2 — CID 142478207

IUPAC6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one
SMILESC[C@@H]1CN(c2ncc(Cl)c(Nc3ccc4c(c3)c(N[C@H](C)C3CC3)cc(=O)n4C)n2)C[C@H](C)O1
InChIInChI=1S/C25H31ClN6O2/c1-14-12-32(13-15(2)34-14)25-27-11-20(26)24(30-25)29-18-7-8-22-19(9-18)21(10-23(33)31(22)4)28-16(3)17-5-6-17/h7-11,14-17,28H,5-6,12-13H2,1-4H3,(H,27,29,30)/t14-,15+,16-/m1/s1
InChIKeyWCGWOSDFTFIICC-OWCLPIDISA-N
MW483.02 g/mol
LogP4.55
Rot. Bonds6

About 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one

6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one (PubChem CID 142478207) has the molecular formula C25H31ClN6O2 and a molecular weight of 483.02 g/mol. Its IUPAC name is 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one
PubChem CID142478207
Molecular FormulaC25H31ClN6O2
Molecular Weight483.02 g/mol
Exact Mass482.22
IUPAC Name6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one
SMILESC[C@@H]1CN(c2ncc(Cl)c(Nc3ccc4c(c3)c(N[C@H](C)C3CC3)cc(=O)n4C)n2)C[C@H](C)O1
InChIInChI=1S/C25H31ClN6O2/c1-14-12-32(13-15(2)34-14)25-27-11-20(26)24(30-25)29-18-7-8-22-19(9-18)21(10-23(33)31(22)4)28-16(3)17-5-6-17/h7-11,14-17,28H,5-6,12-13H2,1-4H3,(H,27,29,30)/t14-,15+,16-/m1/s1
InChIKeyWCGWOSDFTFIICC-OWCLPIDISA-N
XLogP4.55
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.02
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one?
The IUPAC name of 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one (CID 142478207) is 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one.
What is the SMILES notation for 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one?
The canonical SMILES for 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one is C[C@@H]1CN(c2ncc(Cl)c(Nc3ccc4c(c3)c(N[C@H](C)C3CC3)cc(=O)n4C)n2)C[C@H](C)O1.
What is the InChIKey of 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one?
The InChIKey is WCGWOSDFTFIICC-OWCLPIDISA-N. The full InChI is InChI=1S/C25H31ClN6O2/c1-14-12-32(13-15(2)34-14)25-27-11-20(26)24(30-25)29-18-7-8-22-19(9-18)21(10-23(33)31(22)4)28-16(3)17-5-6-17/h7-11,14-17,28H,5-6,12-13H2,1-4H3,(H,27,29,30)/t14-,15+,16-/m1/s1.
What are the key properties of 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one?
6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one has a molecular weight of 483.02 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-4-[[(1R)-1-cyclopropylethyl]amino]-1-methylquinolin-2-one is sourced from PubChem (CID 142478207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).