2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C20H26N6O3 — CID 155598624

IUPAC2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2nc(-n3ccnc3)nc3c(C)c[nH]c23)CC1
InChIInChI=1S/C20H26N6O3/c1-13-11-22-17-16(13)24-20(26-8-7-21-12-26)25-18(17)19(27)23-14-3-5-15(6-4-14)29-10-9-28-2/h7-8,11-12,14-15,22H,3-6,9-10H2,1-2H3,(H,23,27)
InChIKeyUYQDUTFCTMUPHI-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.16
Rot. Bonds7

About 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155598624) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155598624
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2nc(-n3ccnc3)nc3c(C)c[nH]c23)CC1
InChIInChI=1S/C20H26N6O3/c1-13-11-22-17-16(13)24-20(26-8-7-21-12-26)25-18(17)19(27)23-14-3-5-15(6-4-14)29-10-9-28-2/h7-8,11-12,14-15,22H,3-6,9-10H2,1-2H3,(H,23,27)
InChIKeyUYQDUTFCTMUPHI-UHFFFAOYSA-N
XLogP2.16
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155598624) is 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is COCCOC1CCC(NC(=O)c2nc(-n3ccnc3)nc3c(C)c[nH]c23)CC1.
What is the InChIKey of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is UYQDUTFCTMUPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-13-11-22-17-16(13)24-20(26-8-7-21-12-26)25-18(17)19(27)23-14-3-5-15(6-4-14)29-10-9-28-2/h7-8,11-12,14-15,22H,3-6,9-10H2,1-2H3,(H,23,27).
What are the key properties of 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155598624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).