4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

C23H24ClN5O2 — CID 134135478

IUPAC4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccc(Cc2cn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c23)cc1
InChIInChI=1S/C23H24ClN5O2/c1-13-10-26-18(14(2)20(13)31-4)12-29-11-16(9-15-5-7-17(30-3)8-6-15)19-21(24)27-23(25)28-22(19)29/h5-8,10-11H,9,12H2,1-4H3,(H2,25,27,28)
InChIKeyCOUMQEVQHMKAFK-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.34
Rot. Bonds6

About 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 134135478) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID134135478
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccc(Cc2cn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c23)cc1
InChIInChI=1S/C23H24ClN5O2/c1-13-10-26-18(14(2)20(13)31-4)12-29-11-16(9-15-5-7-17(30-3)8-6-15)19-21(24)27-23(25)28-22(19)29/h5-8,10-11H,9,12H2,1-4H3,(H2,25,27,28)
InChIKeyCOUMQEVQHMKAFK-UHFFFAOYSA-N
XLogP4.34
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 134135478) is 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is COc1ccc(Cc2cn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c23)cc1.
What is the InChIKey of 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is COUMQEVQHMKAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-13-10-26-18(14(2)20(13)31-4)12-29-11-16(9-15-5-7-17(30-3)8-6-15)19-21(24)27-23(25)28-22(19)29/h5-8,10-11H,9,12H2,1-4H3,(H2,25,27,28).
What are the key properties of 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 437.93 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 134135478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).