3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide

C18H23N3O4S — CID 55613428

IUPAC3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C18H23N3O4S/c1-11-14(15-16(25-11)19-10-20(2)17(15)22)18(23)21(12-5-7-26-9-12)8-13-4-3-6-24-13/h10,12-13H,3-9H2,1-2H3
InChIKeyGSZDFJHGUUJRDK-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.96
Rot. Bonds4

About 3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide

3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55613428) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID55613428
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C18H23N3O4S/c1-11-14(15-16(25-11)19-10-20(2)17(15)22)18(23)21(12-5-7-26-9-12)8-13-4-3-6-24-13/h10,12-13H,3-9H2,1-2H3
InChIKeyGSZDFJHGUUJRDK-UHFFFAOYSA-N
XLogP1.96
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
CID 55613399
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
CID 95376670
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]isoquinoline-1-carboxamide
CID 95326524
5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
CID 97313157

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide (CID 55613428) is 3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)N(CC1CCCO1)C1CCSC1.
What is the InChIKey of 3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is GSZDFJHGUUJRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-11-14(15-16(25-11)19-10-20(2)17(15)22)18(23)21(12-5-7-26-9-12)8-13-4-3-6-24-13/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide?
3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55613428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).