4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide

C20H20N6O2 — CID 172849693

IUPAC4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCOCc1ccc(NC(=O)c2nc(N)c3c(C#N)cn(C4(C)CC4)c3n2)cc1
InChIInChI=1S/C20H20N6O2/c1-20(7-8-20)26-10-13(9-21)15-16(22)24-17(25-18(15)26)19(27)23-14-5-3-12(4-6-14)11-28-2/h3-6,10H,7-8,11H2,1-2H3,(H,23,27)(H2,22,24,25)
InChIKeyXXAZDLZDLCZQDP-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.79
Rot. Bonds5

About 4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide

4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide (PubChem CID 172849693) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide
PubChem CID172849693
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCOCc1ccc(NC(=O)c2nc(N)c3c(C#N)cn(C4(C)CC4)c3n2)cc1
InChIInChI=1S/C20H20N6O2/c1-20(7-8-20)26-10-13(9-21)15-16(22)24-17(25-18(15)26)19(27)23-14-5-3-12(4-6-14)11-28-2/h3-6,10H,7-8,11H2,1-2H3,(H,23,27)(H2,22,24,25)
InChIKeyXXAZDLZDLCZQDP-UHFFFAOYSA-N
XLogP2.79
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 172786785
4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 172813750
4-amino-6-(2-imidazo[1,2-b]pyridazin-2-ylethynyl)-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 172695000
4-amino-6-(3-hydroxyprop-1-ynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164154
4-amino-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)-6-(oxan-4-ylmethoxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164181
4-amino-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)-6-[2-(oxan-4-yl)ethynyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164133
4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164059
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
2-(1-aminocyclobutyl)-N-[4-(methoxymethyl)phenyl]acetamide
CID 114253141
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide (CID 172849693) is 4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide is COCc1ccc(NC(=O)c2nc(N)c3c(C#N)cn(C4(C)CC4)c3n2)cc1.
What is the InChIKey of 4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is XXAZDLZDLCZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-20(7-8-20)26-10-13(9-21)15-16(22)24-17(25-18(15)26)19(27)23-14-5-3-12(4-6-14)11-28-2/h3-6,10H,7-8,11H2,1-2H3,(H,23,27)(H2,22,24,25).
What are the key properties of 4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide?
4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 172849693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).