2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C15H21N3OS — CID 135997961

IUPAC2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)CC1CCCCC1
InChIInChI=1S/C15H21N3OS/c1-18(9-11-5-3-2-4-6-11)10-13-16-12-7-8-20-14(12)15(19)17-13/h7-8,11H,2-6,9-10H2,1H3,(H,16,17,19)
InChIKeyYUCJGHCZEKTHNY-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.00
Rot. Bonds4

About 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135997961) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135997961
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)CC1CCCCC1
InChIInChI=1S/C15H21N3OS/c1-18(9-11-5-3-2-4-6-11)10-13-16-12-7-8-20-14(12)15(19)17-13/h7-8,11H,2-6,9-10H2,1H3,(H,16,17,19)
InChIKeyYUCJGHCZEKTHNY-UHFFFAOYSA-N
XLogP3.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzothienopyrimidinone deriv., 9
CID 135927906
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
CID 135429093
2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155516399
2-[(3-Fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 16024234
N-(4-methylbenzyl)-1-(4-oxo-4H-thieno[3,2-d][1,3]thiazin-2-yl)piperidine-3-carboxamide
CID 16194015
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54757107
N-(3-aminopropyl)-4-methyl-N-[1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]propyl]benzamide
CID 54757210
N-(3-aminopropyl)-N-[1-[3-(cyclopropylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]propyl]-4-methylbenzamide
CID 54757212
N-(4-aminobutyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54757525
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]benzamide
CID 54757838
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-3-methylbenzamide
CID 54757935
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-4-fluorobenzamide
CID 54758036

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135997961) is 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CN(Cc1nc2ccsc2c(=O)[nH]1)CC1CCCCC1.
What is the InChIKey of 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YUCJGHCZEKTHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-18(9-11-5-3-2-4-6-11)10-13-16-12-7-8-20-14(12)15(19)17-13/h7-8,11H,2-6,9-10H2,1H3,(H,16,17,19).
What are the key properties of 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 291.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135997961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).