6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C13H15N3O4 — CID 78957760

IUPAC6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NCC1(C)COC1
InChIInChI=1S/C13H15N3O4/c1-7-8(9-11(18)15-6-16-12(9)20-7)10(17)14-3-13(2)4-19-5-13/h6H,3-5H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyYSPRMWAJNGTQCX-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.59
Rot. Bonds3

About 6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 78957760) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID78957760
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NCC1(C)COC1
InChIInChI=1S/C13H15N3O4/c1-7-8(9-11(18)15-6-16-12(9)20-7)10(17)14-3-13(2)4-19-5-13/h6H,3-5H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyYSPRMWAJNGTQCX-UHFFFAOYSA-N
XLogP0.59
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 78957760) is 6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC1(C)COC1.
What is the InChIKey of 6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is YSPRMWAJNGTQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-7-8(9-11(18)15-6-16-12(9)20-7)10(17)14-3-13(2)4-19-5-13/h6H,3-5H2,1-2H3,(H,14,17)(H,15,16,18).
What are the key properties of 6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 78957760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).