2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C15H22N4OS — CID 116652710

IUPAC2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CN(C)C(CN)C3CC3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H22N4OS/c1-8-9(2)21-15-13(8)14(20)17-12(18-15)7-19(3)11(6-16)10-4-5-10/h10-11H,4-7,16H2,1-3H3,(H,17,18,20)
InChIKeyKNZISSZIIRNZTN-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.77
Rot. Bonds5

About 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 116652710) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID116652710
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CN(C)C(CN)C3CC3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H22N4OS/c1-8-9(2)21-15-13(8)14(20)17-12(18-15)7-19(3)11(6-16)10-4-5-10/h10-11H,4-7,16H2,1-3H3,(H,17,18,20)
InChIKeyKNZISSZIIRNZTN-UHFFFAOYSA-N
XLogP1.77
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116652761
2-[[cyclopropyl(2-hydroxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 24715007
2-[[2-hydroxypropyl(methyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714825
2-[[cyclohexyl(2-hydroxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714824
2-(diethylaminomethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2452307
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740
2-[[azetidin-3-yl(ethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 66181530
N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]cyclobutanecarboxamide
CID 1453285
N-(1-cyclopropylethyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-methylpropanamide
CID 24688288
N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2-ethylbutanamide
CID 1453289
N-cyclohexyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]butanamide
CID 1453225
1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116652934

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 116652710) is 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(CN(C)C(CN)C3CC3)[nH]c(=O)c2c1C.
What is the InChIKey of 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KNZISSZIIRNZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-8-9(2)21-15-13(8)14(20)17-12(18-15)7-19(3)11(6-16)10-4-5-10/h10-11H,4-7,16H2,1-3H3,(H,17,18,20).
What are the key properties of 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 306.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 116652710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).