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

C16H19FN4O2 — CID 138635318

IUPACN-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC1CC(F)C1
InChIInChI=1S/C16H19FN4O2/c1-8-11(14(22)20-10-5-9(17)6-10)12-13(21-16(2)3-4-16)18-7-19-15(12)23-8/h7,9-10H,3-6H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyKAJQHMFODVQVKO-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.73
Rot. Bonds4

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

N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635318) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635318
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC1CC(F)C1
InChIInChI=1S/C16H19FN4O2/c1-8-11(14(22)20-10-5-9(17)6-10)12-13(21-16(2)3-4-16)18-7-19-15(12)23-8/h7,9-10H,3-6H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyKAJQHMFODVQVKO-UHFFFAOYSA-N
XLogP2.73
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635318) is N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC1CC(F)C1.
What is the InChIKey of N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KAJQHMFODVQVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-8-11(14(22)20-10-5-9(17)6-10)12-13(21-16(2)3-4-16)18-7-19-15(12)23-8/h7,9-10H,3-6H2,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).