4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

C19H23N5O2 — CID 134164059

IUPAC4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCc1ccc(NC(=O)c2cn(C(C)(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C19H23N5O2/c1-19(2,3)24-9-14(15-16(20)21-11-22-17(15)24)18(25)23-13-7-5-12(6-8-13)10-26-4/h5-9,11H,10H2,1-4H3,(H,23,25)(H2,20,21,22)
InChIKeyPLDXFCFLWGXXPX-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.17
Rot. Bonds4

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

4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 134164059) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID134164059
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCc1ccc(NC(=O)c2cn(C(C)(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C19H23N5O2/c1-19(2,3)24-9-14(15-16(20)21-11-22-17(15)24)18(25)23-13-7-5-12(6-8-13)10-26-4/h5-9,11H,10H2,1-4H3,(H,23,25)(H2,20,21,22)
InChIKeyPLDXFCFLWGXXPX-UHFFFAOYSA-N
XLogP3.17
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[3-fluoro-4-(methoxymethyl)phenyl]-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 155073850
1-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)ethanone;(2-methylpropan-2-yl)oxymethylbenzene
CID 157341461
1-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-2-[4-(trihydroxymethoxymethyl)phenyl]ethanone
CID 158653275
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-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 139331190
4-amino-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)-6-(oxan-4-ylmethoxy)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164181
4-amino-6-(3-cyclohexylprop-1-ynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164230
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-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 152920189
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
5-benzyl-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
CID 158005663

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 134164059) is 4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is COCc1ccc(NC(=O)c2cn(C(C)(C)C)c3ncnc(N)c23)cc1.
What is the InChIKey of 4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PLDXFCFLWGXXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-19(2,3)24-9-14(15-16(20)21-11-22-17(15)24)18(25)23-13-7-5-12(6-8-13)10-26-4/h5-9,11H,10H2,1-4H3,(H,23,25)(H2,20,21,22).
What are the key properties of 4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 134164059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).