3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

C14H15N3O3S — CID 82342043

IUPAC3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)(N)Cn1c(=O)[nH]c2scc(-c3ccco3)c2c1=O
InChIInChI=1S/C14H15N3O3S/c1-14(2,15)7-17-12(18)10-8(9-4-3-5-20-9)6-21-11(10)16-13(17)19/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyFNSCMKCLRDBKBT-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.75
Rot. Bonds3

About 3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 82342043) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID82342043
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)(N)Cn1c(=O)[nH]c2scc(-c3ccco3)c2c1=O
InChIInChI=1S/C14H15N3O3S/c1-14(2,15)7-17-12(18)10-8(9-4-3-5-20-9)6-21-11(10)16-13(17)19/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyFNSCMKCLRDBKBT-UHFFFAOYSA-N
XLogP1.75
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 82342043) is 3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is CC(C)(N)Cn1c(=O)[nH]c2scc(-c3ccco3)c2c1=O.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FNSCMKCLRDBKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-14(2,15)7-17-12(18)10-8(9-4-3-5-20-9)6-21-11(10)16-13(17)19/h3-6H,7,15H2,1-2H3,(H,16,19).
What are the key properties of 3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 305.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-5-(furan-2-yl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 82342043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).