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

C17H18N6O2 — CID 138635155

IUPAC6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)nn1
InChIInChI=1S/C17H18N6O2/c1-9-4-5-11(23-22-9)20-15(24)12-10(2)25-16-13(12)14(18-8-19-16)21-17(3)6-7-17/h4-5,8H,6-7H2,1-3H3,(H,18,19,21)(H,20,23,24)
InChIKeyQFNMIIJAQPVUKR-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.85
Rot. Bonds4

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

6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635155) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635155
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)nn1
InChIInChI=1S/C17H18N6O2/c1-9-4-5-11(23-22-9)20-15(24)12-10(2)25-16-13(12)14(18-8-19-16)21-17(3)6-7-17/h4-5,8H,6-7H2,1-3H3,(H,18,19,21)(H,20,23,24)
InChIKeyQFNMIIJAQPVUKR-UHFFFAOYSA-N
XLogP2.85
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide (CID 138635155) is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)nn1.
What is the InChIKey of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is QFNMIIJAQPVUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-9-4-5-11(23-22-9)20-15(24)12-10(2)25-16-13(12)14(18-8-19-16)21-17(3)6-7-17/h4-5,8H,6-7H2,1-3H3,(H,18,19,21)(H,20,23,24).
What are the key properties of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).