2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine

C22H20Cl2N4 — CID 10764094

IUPAC2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)nc(N)c12
InChIInChI=1S/C22H20Cl2N4/c1-12-13(2)28(14(3)15-7-5-4-6-8-15)22-19(12)20(25)26-21(27-22)16-9-10-17(23)18(24)11-16/h4-11,14H,1-3H3,(H2,25,26,27)/t14-/m1/s1
InChIKeyDVSGSWIPTYTWPR-CQSZACIVSA-N
MW411.34 g/mol
LogP6.21
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine

2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10764094) has the molecular formula C22H20Cl2N4 and a molecular weight of 411.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10764094
Molecular FormulaC22H20Cl2N4
Molecular Weight411.34 g/mol
Exact Mass410.11
IUPAC Name2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)nc(N)c12
InChIInChI=1S/C22H20Cl2N4/c1-12-13(2)28(14(3)15-7-5-4-6-8-15)22-19(12)20(25)26-21(27-22)16-9-10-17(23)18(24)11-16/h4-11,14H,1-3H3,(H2,25,26,27)/t14-/m1/s1
InChIKeyDVSGSWIPTYTWPR-CQSZACIVSA-N
XLogP6.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-(2-chlorophenyl)-5,6-dimethyl-7-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 10619584
5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 10543429
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790
3-(4-chlorophenyl)-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione
CID 2945404
2-(1-phenylethyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 57202782
1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
CID 7085144
2-(3,4-dichlorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566300
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine
CID 106818359
5-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridin-2-amine
CID 81137999
8-(3,4-dichlorophenyl)-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 177392581
5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 175699340

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 10764094) is 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccc(Cl)c(Cl)c3)nc(N)c12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DVSGSWIPTYTWPR-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20Cl2N4/c1-12-13(2)28(14(3)15-7-5-4-6-8-15)22-19(12)20(25)26-21(27-22)16-9-10-17(23)18(24)11-16/h4-11,14H,1-3H3,(H2,25,26,27)/t14-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 411.34 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10764094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).