2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride

C8H10ClN3OS — CID 135906822

IUPAC2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
SMILESCNCc1nc2ccsc2c(=O)[nH]1.Cl
InChIInChI=1S/C8H9N3OS.ClH/c1-9-4-6-10-5-2-3-13-7(5)8(12)11-6;/h2-3,9H,4H2,1H3,(H,10,11,12);1H
InChIKeySEVCRTKXDVMDSU-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.13
Rot. Bonds2

About 2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride

2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride (PubChem CID 135906822) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
PubChem CID135906822
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
SMILESCNCc1nc2ccsc2c(=O)[nH]1.Cl
InChIInChI=1S/C8H9N3OS.ClH/c1-9-4-6-10-5-2-3-13-7(5)8(12)11-6;/h2-3,9H,4H2,1H3,(H,10,11,12);1H
InChIKeySEVCRTKXDVMDSU-UHFFFAOYSA-N
XLogP1.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
2-(chloromethyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135416191
2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155516399
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740
3-(dimethylamino)thieno[3,2-d]pyrimidin-4(3H)-one
CID 1478283
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
3-ethyl-2-(propylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 3484012
3-Methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
CID 118719987
3-Ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729734

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride (CID 135906822) is 2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride is CNCc1nc2ccsc2c(=O)[nH]1.Cl.
What is the InChIKey of 2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The InChIKey is SEVCRTKXDVMDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS.ClH/c1-9-4-6-10-5-2-3-13-7(5)8(12)11-6;/h2-3,9H,4H2,1H3,(H,10,11,12);1H.
What are the key properties of 2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride has a molecular weight of 231.71 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 135906822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).