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

C20H23N5O2 — CID 172786785

IUPAC4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCOCc1ccc(CNC(=O)c2nc(N)c3ccn(C4(C)CC4)c3n2)cc1
InChIInChI=1S/C20H23N5O2/c1-20(8-9-20)25-10-7-15-16(21)23-17(24-18(15)25)19(26)22-11-13-3-5-14(6-4-13)12-27-2/h3-7,10H,8-9,11-12H2,1-2H3,(H,22,26)(H2,21,23,24)
InChIKeyOZUNTHPXQCLPEA-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.60
Rot. Bonds6

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

4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide (PubChem CID 172786785) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide
PubChem CID172786785
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCOCc1ccc(CNC(=O)c2nc(N)c3ccn(C4(C)CC4)c3n2)cc1
InChIInChI=1S/C20H23N5O2/c1-20(8-9-20)25-10-7-15-16(21)23-17(24-18(15)25)19(26)22-11-13-3-5-14(6-4-13)12-27-2/h3-7,10H,8-9,11-12H2,1-2H3,(H,22,26)(H2,21,23,24)
InChIKeyOZUNTHPXQCLPEA-UHFFFAOYSA-N
XLogP2.60
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 172849693
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 120776497
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[4-(methoxymethyl)phenyl]methyl]butanamide
CID 55615122
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 23130801
N-[[4-(methoxymethyl)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55614965
2-amino-6-(methoxymethyl)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66844101
N-[[4-(methoxymethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 136517116
N-[(4-methoxyphenyl)methyl]-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181390
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide (CID 172786785) is 4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide is COCc1ccc(CNC(=O)c2nc(N)c3ccn(C4(C)CC4)c3n2)cc1.
What is the InChIKey of 4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is OZUNTHPXQCLPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(8-9-20)25-10-7-15-16(21)23-17(24-18(15)25)19(26)22-11-13-3-5-14(6-4-13)12-27-2/h3-7,10H,8-9,11-12H2,1-2H3,(H,22,26)(H2,21,23,24).
What are the key properties of 4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide?
4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 172786785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).