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

C17H19N5O3 — CID 138635742

IUPAC6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)on1
InChIInChI=1S/C17H19N5O3/c1-9-6-11(25-22-9)7-18-15(23)12-10(2)24-16-13(12)14(19-8-20-16)21-17(3)4-5-17/h6,8H,4-5,7H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyHJHNHSYLCLNNEY-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.72
Rot. Bonds5

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

6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635742) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635742
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)on1
InChIInChI=1S/C17H19N5O3/c1-9-6-11(25-22-9)7-18-15(23)12-10(2)24-16-13(12)14(19-8-20-16)21-17(3)4-5-17/h6,8H,4-5,7H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyHJHNHSYLCLNNEY-UHFFFAOYSA-N
XLogP2.72
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.72
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-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635742) is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide is Cc1cc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)on1.
What is the InChIKey of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is HJHNHSYLCLNNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-9-6-11(25-22-9)7-18-15(23)12-10(2)24-16-13(12)14(19-8-20-16)21-17(3)4-5-17/h6,8H,4-5,7H2,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.72, 5 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-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).