4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H20N4O2S — CID 26326223

IUPAC4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@H](C)c2ccccc2)sc2ncnc(NCc3ccco3)c12
InChIInChI=1S/C21H20N4O2S/c1-13-17-19(22-11-16-9-6-10-27-16)23-12-24-21(17)28-18(13)20(26)25-14(2)15-7-4-3-5-8-15/h3-10,12,14H,11H2,1-2H3,(H,25,26)(H,22,23,24)/t14-/m1/s1
InChIKeyMSJCJLKVUXNPOG-CQSZACIVSA-N
MW392.48 g/mol
LogP4.70
Rot. Bonds6

About 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26326223) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26326223
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@H](C)c2ccccc2)sc2ncnc(NCc3ccco3)c12
InChIInChI=1S/C21H20N4O2S/c1-13-17-19(22-11-16-9-6-10-27-16)23-12-24-21(17)28-18(13)20(26)25-14(2)15-7-4-3-5-8-15/h3-10,12,14H,11H2,1-2H3,(H,25,26)(H,22,23,24)/t14-/m1/s1
InChIKeyMSJCJLKVUXNPOG-CQSZACIVSA-N
XLogP4.70
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-ethyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42451304
N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26283046
4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26347532
N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 125171845
4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42471704
4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 45243788
4-(furan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109209450
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 45231558
N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45246869
5-methyl-4-[(4-phenyloxan-4-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 45242480
N-tert-butyl-5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26357864
N-[(2R)-1-methoxypropan-2-yl]-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42430333

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 26326223) is 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N[C@H](C)c2ccccc2)sc2ncnc(NCc3ccco3)c12.
What is the InChIKey of 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MSJCJLKVUXNPOG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-13-17-19(22-11-16-9-6-10-27-16)23-12-24-21(17)28-18(13)20(26)25-14(2)15-7-4-3-5-8-15/h3-10,12,14H,11H2,1-2H3,(H,25,26)(H,22,23,24)/t14-/m1/s1.
What are the key properties of 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26326223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).