N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C13H18N4O3 — CID 166244380

IUPACN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1ncnc2[nH]ccc12
InChIInChI=1S/C13H18N4O3/c1-13(4-6-18,7-20-2)17-12(19)10-9-3-5-14-11(9)16-8-15-10/h3,5,8,18H,4,6-7H2,1-2H3,(H,17,19)(H,14,15,16)
InChIKeyMMPQWUZBFAFRFU-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.48
Rot. Bonds6

About N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 166244380) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID166244380
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1ncnc2[nH]ccc12
InChIInChI=1S/C13H18N4O3/c1-13(4-6-18,7-20-2)17-12(19)10-9-3-5-14-11(9)16-8-15-10/h3,5,8,18H,4,6-7H2,1-2H3,(H,17,19)(H,14,15,16)
InChIKeyMMPQWUZBFAFRFU-UHFFFAOYSA-N
XLogP0.48
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 166244380) is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is COCC(C)(CCO)NC(=O)c1ncnc2[nH]ccc12.
What is the InChIKey of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is MMPQWUZBFAFRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-13(4-6-18,7-20-2)17-12(19)10-9-3-5-14-11(9)16-8-15-10/h3,5,8,18H,4,6-7H2,1-2H3,(H,17,19)(H,14,15,16).
What are the key properties of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 166244380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).