N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C21H30N4OS — CID 4284171

IUPACN-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCCCC2C)c2c(C)c(C(=O)NC3CCCCC3)sc2n1
InChIInChI=1S/C21H30N4OS/c1-13-9-7-8-12-25(13)19-17-14(2)18(27-21(17)23-15(3)22-19)20(26)24-16-10-5-4-6-11-16/h13,16H,4-12H2,1-3H3,(H,24,26)
InChIKeyOWPCSTARKVRWCK-UHFFFAOYSA-N
MW386.57 g/mol
LogP4.75
Rot. Bonds3

About N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4284171) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4284171
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC NameN-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCCCC2C)c2c(C)c(C(=O)NC3CCCCC3)sc2n1
InChIInChI=1S/C21H30N4OS/c1-13-9-7-8-12-25(13)19-17-14(2)18(27-21(17)23-15(3)22-19)20(26)24-16-10-5-4-6-11-16/h13,16H,4-12H2,1-3H3,(H,24,26)
InChIKeyOWPCSTARKVRWCK-UHFFFAOYSA-N
XLogP4.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4284171) is N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N2CCCCC2C)c2c(C)c(C(=O)NC3CCCCC3)sc2n1.
What is the InChIKey of N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OWPCSTARKVRWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-13-9-7-8-12-25(13)19-17-14(2)18(27-21(17)23-15(3)22-19)20(26)24-16-10-5-4-6-11-16/h13,16H,4-12H2,1-3H3,(H,24,26).
What are the key properties of N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 386.57 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4284171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).