4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

C25H28N4O2 — CID 67386081

IUPAC4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(C)cc2C)c1
InChIInChI=1S/C25H28N4O2/c1-17-7-8-22(18(2)15-17)29-10-9-21-23(19-5-4-6-20(16-19)30-3)26-25(27-24(21)29)28-11-13-31-14-12-28/h4-8,15-16H,9-14H2,1-3H3
InChIKeyYXIALRSFXXDTKF-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.30
Rot. Bonds4

About 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 67386081) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID67386081
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESCOc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(C)cc2C)c1
InChIInChI=1S/C25H28N4O2/c1-17-7-8-22(18(2)15-17)29-10-9-21-23(19-5-4-6-20(16-19)30-3)26-25(27-24(21)29)28-11-13-31-14-12-28/h4-8,15-16H,9-14H2,1-3H3
InChIKeyYXIALRSFXXDTKF-UHFFFAOYSA-N
XLogP4.30
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

N,N-bis[(4-methoxyphenyl)methyl]-5-[7-(2-methylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 67385516
4-[4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylbenzoic acid
CID 67385396
[3-[7-(2-chlorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl] 2,2,2-trifluoroacetate
CID 24889436
4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylbenzonitrile
CID 59244834
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
N,N-bis[(4-methoxyphenyl)methyl]-5-[7-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 67386413
4-[4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67385512
3-[7-(4-methylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]aniline
CID 163802662
[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanol
CID 59244893
[3-[4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-4-methylphenyl]-morpholin-4-ylmethanone
CID 67385869
3-[2-morpholin-4-yl-7-(1,3-thiazol-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
CID 24889765
3-[7-(2-chlorophenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol;2,2,2-trifluoroacetic acid
CID 67385238

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 67386081) is 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is COc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(C)cc2C)c1.
What is the InChIKey of 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is YXIALRSFXXDTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-7-8-22(18(2)15-17)29-10-9-21-23(19-5-4-6-20(16-19)30-3)26-25(27-24(21)29)28-11-13-31-14-12-28/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 416.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 67386081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).