7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

C20H25Cl2N3O3 — CID 10224294

IUPAC7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCCOCC(COCC)Oc1nc(C)nc2c1CCN2c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H25Cl2N3O3/c1-4-26-11-15(12-27-5-2)28-20-16-8-9-25(19(16)23-13(3)24-20)18-7-6-14(21)10-17(18)22/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3
InChIKeyFZLVLRSPDHIXEW-UHFFFAOYSA-N
MW426.34 g/mol
LogP4.61
Rot. Bonds9

About 7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 10224294) has the molecular formula C20H25Cl2N3O3 and a molecular weight of 426.34 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID10224294
Molecular FormulaC20H25Cl2N3O3
Molecular Weight426.34 g/mol
Exact Mass425.13
IUPAC Name7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCCOCC(COCC)Oc1nc(C)nc2c1CCN2c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H25Cl2N3O3/c1-4-26-11-15(12-27-5-2)28-20-16-8-9-25(19(16)23-13(3)24-20)18-7-6-14(21)10-17(18)22/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3
InChIKeyFZLVLRSPDHIXEW-UHFFFAOYSA-N
XLogP4.61
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 10199452
3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine
CID 69463214
2-methyl-4-pentan-3-yloxy-7-[2-pentan-3-yloxy-6-(trifluoromethyl)-3-pyridinyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 69180754
4-chloro-7-(2,4-dichlorophenyl)-2-methyl-5-prop-2-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 87781271
1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol
CID 59811519
1-(4-ethoxy-2-methylphenyl)-4-iodo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 25157511
3-chloro-4-(10-methyl-2-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-7-yl)benzonitrile
CID 10134352
ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-hydroxy-4H-imidazole-5-carboxylate
CID 11327437
[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482816
ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate
CID 11773769
3-chloro-4-(2-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-7-yl)benzonitrile
CID 69294969
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-ethoxypropan-2-ol
CID 3733106

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 10224294) is 7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is CCOCC(COCC)Oc1nc(C)nc2c1CCN2c1ccc(Cl)cc1Cl.
What is the InChIKey of 7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is FZLVLRSPDHIXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O3/c1-4-26-11-15(12-27-5-2)28-20-16-8-9-25(19(16)23-13(3)24-20)18-7-6-14(21)10-17(18)22/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 426.34 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 10224294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).