N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride

C16H17ClN4O2S — CID 66769185

IUPACN-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride
SMILESCc1csc2nc(C(=O)NCc3cccc(CN)c3)[nH]c(=O)c12.Cl
InChIInChI=1S/C16H16N4O2S.ClH/c1-9-8-23-16-12(9)14(21)19-13(20-16)15(22)18-7-11-4-2-3-10(5-11)6-17;/h2-5,8H,6-7,17H2,1H3,(H,18,22)(H,19,20,21);1H
InChIKeyRJORRDJDUBZBMI-UHFFFAOYSA-N
MW364.86 g/mol
LogP2.10
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride

N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride (PubChem CID 66769185) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride
PubChem CID66769185
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride
SMILESCc1csc2nc(C(=O)NCc3cccc(CN)c3)[nH]c(=O)c12.Cl
InChIInChI=1S/C16H16N4O2S.ClH/c1-9-8-23-16-12(9)14(21)19-13(20-16)15(22)18-7-11-4-2-3-10(5-11)6-17;/h2-5,8H,6-7,17H2,1H3,(H,18,22)(H,19,20,21);1H
InChIKeyRJORRDJDUBZBMI-UHFFFAOYSA-N
XLogP2.10
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[3-(3-aminoprop-2-enylideneamino)propoxy]phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 154555042
5-methyl-4-oxo-N-[[2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 69244958
N-[(3-methoxyphenyl)methyl]-4-oxo-5-[(2-phenylacetyl)amino]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652324
2-[4-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl]methoxy]phenyl]acetic acid
CID 59652092
[2-[(3-ethoxyphenyl)methylcarbamoyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl]methyl 4-(hydroxymethyl)benzoate
CID 59652104
N-[(3-methoxyphenyl)methyl]-5-[[4-(methylcarbamoyl)phenyl]methoxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652260
5,6-dibromo-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652349
(2S,5S)-5-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl]methoxymethyl]-1,4-dioxane-2-carboxylic acid
CID 66850711
2-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl]methoxymethyl]cyclohexane-1-carboxylic acid
CID 66850769
N-[(3-chlorophenyl)methyl]-5-[(4-hydroxycyclohexyl)methoxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 66851472
N-[(3-chlorophenyl)methyl]-5-[[4-(hydroxymethyl)cyclohexyl]methoxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 66850999
5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 66851161

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride (CID 66769185) is N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride is Cc1csc2nc(C(=O)NCc3cccc(CN)c3)[nH]c(=O)c12.Cl.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride?
The InChIKey is RJORRDJDUBZBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S.ClH/c1-9-8-23-16-12(9)14(21)19-13(20-16)15(22)18-7-11-4-2-3-10(5-11)6-17;/h2-5,8H,6-7,17H2,1H3,(H,18,22)(H,19,20,21);1H.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride?
N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride has a molecular weight of 364.86 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 66769185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).