6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide

C21H24N4O3 — CID 170209511

IUPAC6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccccc1OCCNC(=O)c1c(C)oc2ncnc(NC3(C)CC3)c12
InChIInChI=1S/C21H24N4O3/c1-13-6-4-5-7-15(13)27-11-10-22-19(26)16-14(2)28-20-17(16)18(23-12-24-20)25-21(3)8-9-21/h4-7,12H,8-11H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyFFDIJEXXMSQSAX-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.61
Rot. Bonds7

About 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 170209511) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID170209511
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccccc1OCCNC(=O)c1c(C)oc2ncnc(NC3(C)CC3)c12
InChIInChI=1S/C21H24N4O3/c1-13-6-4-5-7-15(13)27-11-10-22-19(26)16-14(2)28-20-17(16)18(23-12-24-20)25-21(3)8-9-21/h4-7,12H,8-11H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyFFDIJEXXMSQSAX-UHFFFAOYSA-N
XLogP3.61
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide (CID 170209511) is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide is Cc1ccccc1OCCNC(=O)c1c(C)oc2ncnc(NC3(C)CC3)c12.
What is the InChIKey of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FFDIJEXXMSQSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-6-4-5-7-15(13)27-11-10-22-19(26)16-14(2)28-20-17(16)18(23-12-24-20)25-21(3)8-9-21/h4-7,12H,8-11H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 170209511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).