4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol

C20H26ClN5O2 — CID 89173388

IUPAC4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol
SMILESCOc1c(C)cnc(Cn2cc(CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C20H26ClN5O2/c1-11-8-23-14(12(2)16(11)28-5)10-26-9-13(6-7-20(3,4)27)15-17(21)24-19(22)25-18(15)26/h8-9,27H,6-7,10H2,1-5H3,(H2,22,24,25)
InChIKeyAFILQNVRHBVFKM-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.44
Rot. Bonds6

About 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol

4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol (PubChem CID 89173388) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol
PubChem CID89173388
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol
SMILESCOc1c(C)cnc(Cn2cc(CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C20H26ClN5O2/c1-11-8-23-14(12(2)16(11)28-5)10-26-9-13(6-7-20(3,4)27)15-17(21)24-19(22)25-18(15)26/h8-9,27H,6-7,10H2,1-5H3,(H2,22,24,25)
InChIKeyAFILQNVRHBVFKM-UHFFFAOYSA-N
XLogP3.44
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-5-(3-fluoropropyl)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 88579435
2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]propane-1,2,3-triol
CID 88579138
[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]methyl 2-(dimethylamino)acetate
CID 88579445
cyclopentyl 2-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]propylamino]-2-methylpropanoate
CID 89082554
4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 88579492
(2S)-2-amino-4-[4-[2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]phenoxy]butanoic acid
CID 45377258
4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 88579493
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312
4-chloro-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylpyrazolo[5,4-d]pyrimidin-6-amine
CID 143021211
5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 58014058
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one
CID 58278633
2-[5-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]pent-4-ynylamino]-2-methylpropanoic acid
CID 45377198

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol (CID 89173388) is 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol is COc1c(C)cnc(Cn2cc(CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol?
The InChIKey is AFILQNVRHBVFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O2/c1-11-8-23-14(12(2)16(11)28-5)10-26-9-13(6-7-20(3,4)27)15-17(21)24-19(22)25-18(15)26/h8-9,27H,6-7,10H2,1-5H3,(H2,22,24,25).
What are the key properties of 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol?
4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol has a molecular weight of 403.91 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 89173388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).