N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

C19H26N4OS — CID 133382268

IUPACN-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc2s1
InChIInChI=1S/C19H26N4OS/c1-13-10-15-17(21-12-22-19(15)25-13)23-9-5-8-16(23)18(24)20-11-14-6-3-2-4-7-14/h10,12,14,16H,2-9,11H2,1H3,(H,20,24)
InChIKeyMFRMQQDOEJUCJE-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.67
Rot. Bonds4

About N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 133382268) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID133382268
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc2s1
InChIInChI=1S/C19H26N4OS/c1-13-10-15-17(21-12-22-19(15)25-13)23-9-5-8-16(23)18(24)20-11-14-6-3-2-4-7-14/h10,12,14,16H,2-9,11H2,1H3,(H,20,24)
InChIKeyMFRMQQDOEJUCJE-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 167953503
3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 107070440
6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 3235618
N-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63618240
4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422311
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
CID 133408735
N-[(4-methylphenyl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 166342696
4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133409285
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
N-(2-amino-2-methylpropyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 119630002
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
N-(3-hydroxybutyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 111429149

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 133382268) is N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is Cc1cc2c(N3CCCC3C(=O)NCC3CCCCC3)ncnc2s1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is MFRMQQDOEJUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13-10-15-17(21-12-22-19(15)25-13)23-9-5-8-16(23)18(24)20-11-14-6-3-2-4-7-14/h10,12,14,16H,2-9,11H2,1H3,(H,20,24).
What are the key properties of N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 133382268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).