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

C16H18N6O2 — CID 138635753

IUPAC6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)Nc1ccnn1C
InChIInChI=1S/C16H18N6O2/c1-9-11(14(23)20-10-4-7-19-22(10)3)12-13(21-16(2)5-6-16)17-8-18-15(12)24-9/h4,7-8H,5-6H2,1-3H3,(H,20,23)(H,17,18,21)
InChIKeyFJCWMOIVCKZKLC-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.48
Rot. Bonds4

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

6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635753) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635753
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)Nc1ccnn1C
InChIInChI=1S/C16H18N6O2/c1-9-11(14(23)20-10-4-7-19-22(10)3)12-13(21-16(2)5-6-16)17-8-18-15(12)24-9/h4,7-8H,5-6H2,1-3H3,(H,20,23)(H,17,18,21)
InChIKeyFJCWMOIVCKZKLC-UHFFFAOYSA-N
XLogP2.48
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.48
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-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide (CID 138635753) is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)Nc1ccnn1C.
What is the InChIKey of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FJCWMOIVCKZKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-9-11(14(23)20-10-4-7-19-22(10)3)12-13(21-16(2)5-6-16)17-8-18-15(12)24-9/h4,7-8H,5-6H2,1-3H3,(H,20,23)(H,17,18,21).
What are the key properties of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.48, 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-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).