N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C16H17N3O3S — CID 31151904

IUPACN,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2sc3ncn(C)c(=O)c3c2C)o1
InChIInChI=1S/C16H17N3O3S/c1-9-5-6-11(22-9)7-18(3)16(21)13-10(2)12-14(23-13)17-8-19(4)15(12)20/h5-6,8H,7H2,1-4H3
InChIKeyBRFUQXIEEJKNQD-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.48
Rot. Bonds3

About N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 31151904) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID31151904
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2sc3ncn(C)c(=O)c3c2C)o1
InChIInChI=1S/C16H17N3O3S/c1-9-5-6-11(22-9)7-18(3)16(21)13-10(2)12-14(23-13)17-8-19(4)15(12)20/h5-6,8H,7H2,1-4H3
InChIKeyBRFUQXIEEJKNQD-UHFFFAOYSA-N
XLogP2.48
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31848326
N,3,5-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 47000139
2-ethyl-N,4,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 43044769
N-[(2R)-3,3-dimethylbutan-2-yl]-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 38623842
N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 95047368
N-cyclohexyl-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23960515
3,5-dimethyl-4-oxo-N-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 87037721
N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31236285
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
(3-methyl-1,2-oxazol-5-yl)methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18100063
N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 91652184
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55413345

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 31151904) is N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(CN(C)C(=O)c2sc3ncn(C)c(=O)c3c2C)o1.
What is the InChIKey of N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BRFUQXIEEJKNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9-5-6-11(22-9)7-18(3)16(21)13-10(2)12-14(23-13)17-8-19(4)15(12)20/h5-6,8H,7H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 31151904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).