N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide

C18H18FN3O3S — CID 53083028

IUPACN-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-4-9-22(12-7-5-11(19)6-8-12)16(24)14-10-13-15(23)20(2)18(25)21(3)17(13)26-14/h5-8,10H,4,9H2,1-3H3
InChIKeyPNCJZIOSZVATEF-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.49
Rot. Bonds4

About N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide

N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53083028) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID53083028
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-4-9-22(12-7-5-11(19)6-8-12)16(24)14-10-13-15(23)20(2)18(25)21(3)17(13)26-14/h5-8,10H,4,9H2,1-3H3
InChIKeyPNCJZIOSZVATEF-UHFFFAOYSA-N
XLogP2.49
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide (CID 53083028) is N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide is CCCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PNCJZIOSZVATEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-4-9-22(12-7-5-11(19)6-8-12)16(24)14-10-13-15(23)20(2)18(25)21(3)17(13)26-14/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-N-propylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53083028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).