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

C14H20N4OS — CID 136768010

IUPAC2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCN(Cc1nc2ccsc2c(=O)[nH]1)CC1CCCN1
InChIInChI=1S/C14H20N4OS/c1-2-18(8-10-4-3-6-15-10)9-12-16-11-5-7-20-13(11)14(19)17-12/h5,7,10,15H,2-4,6,8-9H2,1H3,(H,16,17,19)
InChIKeyOKYXLZRMKRKBRM-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.56
Rot. Bonds5

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

2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136768010) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136768010
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCN(Cc1nc2ccsc2c(=O)[nH]1)CC1CCCN1
InChIInChI=1S/C14H20N4OS/c1-2-18(8-10-4-3-6-15-10)9-12-16-11-5-7-20-13(11)14(19)17-12/h5,7,10,15H,2-4,6,8-9H2,1H3,(H,16,17,19)
InChIKeyOKYXLZRMKRKBRM-UHFFFAOYSA-N
XLogP1.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136767022
2-[[[(2S)-oxolan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136822029
2-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135852950
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593
2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135967980
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]methanesulfonamide
CID 135992532
7-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 106615510
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136870749
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615024
N,2-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 137294354
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 136768010) is 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CCN(Cc1nc2ccsc2c(=O)[nH]1)CC1CCCN1.
What is the InChIKey of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OKYXLZRMKRKBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-18(8-10-4-3-6-15-10)9-12-16-11-5-7-20-13(11)14(19)17-12/h5,7,10,15H,2-4,6,8-9H2,1H3,(H,16,17,19).
What are the key properties of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 292.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136768010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).