N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C20H24N4O2S — CID 26283046

IUPACN-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCCCCC2)sc2ncnc(NCc3ccco3)c12
InChIInChI=1S/C20H24N4O2S/c1-13-16-18(21-11-15-9-6-10-26-15)22-12-23-20(16)27-17(13)19(25)24-14-7-4-2-3-5-8-14/h6,9-10,12,14H,2-5,7-8,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyYVOWCCVRDOBCET-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.66
Rot. Bonds5

About N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26283046) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26283046
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCCCCC2)sc2ncnc(NCc3ccco3)c12
InChIInChI=1S/C20H24N4O2S/c1-13-16-18(21-11-15-9-6-10-26-15)22-12-23-20(16)27-17(13)19(25)24-14-7-4-2-3-5-8-14/h6,9-10,12,14H,2-5,7-8,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyYVOWCCVRDOBCET-UHFFFAOYSA-N
XLogP4.66
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56854446
4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26326223
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 45231558
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
4-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26399930
N-cycloheptyl-5-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42189852
N-cyclohexyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109182916
N-cyclopentyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109341395
4-[(3-methoxyphenyl)methylamino]-5-methyl-N-[(3R)-oxolan-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42398144
N-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42398959
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 26283046) is N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CCCCCC2)sc2ncnc(NCc3ccco3)c12.
What is the InChIKey of N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YVOWCCVRDOBCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-16-18(21-11-15-9-6-10-26-15)22-12-23-20(16)27-17(13)19(25)24-14-7-4-2-3-5-8-14/h6,9-10,12,14H,2-5,7-8,11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26283046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).