6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C15H15N3O4 — CID 94805754

IUPAC6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)c2c(C)oc3nc[nH]c(=O)c23)o1
InChIInChI=1S/C15H15N3O4/c1-7-4-5-10(21-7)8(2)18-14(20)11-9(3)22-15-12(11)13(19)16-6-17-15/h4-6,8H,1-3H3,(H,18,20)(H,16,17,19)/t8-/m0/s1
InChIKeyUMQBQKHSUHWMHB-QMMMGPOBSA-N
MW301.30 g/mol
LogP2.22
Rot. Bonds3

About 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 94805754) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID94805754
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)c2c(C)oc3nc[nH]c(=O)c23)o1
InChIInChI=1S/C15H15N3O4/c1-7-4-5-10(21-7)8(2)18-14(20)11-9(3)22-15-12(11)13(19)16-6-17-15/h4-6,8H,1-3H3,(H,18,20)(H,16,17,19)/t8-/m0/s1
InChIKeyUMQBQKHSUHWMHB-QMMMGPOBSA-N
XLogP2.22
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 94805754) is 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1ccc([C@H](C)NC(=O)c2c(C)oc3nc[nH]c(=O)c23)o1.
What is the InChIKey of 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UMQBQKHSUHWMHB-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-7-4-5-10(21-7)8(2)18-14(20)11-9(3)22-15-12(11)13(19)16-6-17-15/h4-6,8H,1-3H3,(H,18,20)(H,16,17,19)/t8-/m0/s1.
What are the key properties of 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 94805754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).