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

C21H21N5 — CID 10688751

IUPAC5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccncc3)nc(N)c12
InChIInChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1
InChIKeyDHXPNPRVYGCMJC-OAHLLOKOSA-N
MW343.43 g/mol
LogP4.30
Rot. Bonds3

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

5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10688751) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10688751
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccncc3)nc(N)c12
InChIInChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1
InChIKeyDHXPNPRVYGCMJC-OAHLLOKOSA-N
XLogP4.30
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Imiquimod
CID 57469
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Abemaciclib
CID 46220502
Amprolium Hydrochloride
CID 8732
Glu-P 1
CID 49971
Amprolium
CID 73341
Miransertib
CID 53262401
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
1954U89
CID 177894
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
R121919
CID 9821250

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 10688751) is 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccncc3)nc(N)c12.
What is the InChIKey of 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DHXPNPRVYGCMJC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N5/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)24-20(25-21)17-9-11-23-12-10-17/h4-12,15H,1-3H3,(H2,22,24,25)/t15-/m1/s1.
What are the key properties of 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 343.43 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-[(1R)-1-phenylethyl]-2-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10688751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).