N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C15H16N4S — CID 102686834

IUPACN-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCc3ccccc3CN)ncnc12
InChIInChI=1S/C15H16N4S/c1-10-8-20-14-13(10)18-9-19-15(14)17-7-12-5-3-2-4-11(12)6-16/h2-5,8-9H,6-7,16H2,1H3,(H,17,18,19)
InChIKeyUFJYRYVEOXFAPU-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.07
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686834) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686834
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCc3ccccc3CN)ncnc12
InChIInChI=1S/C15H16N4S/c1-10-8-20-14-13(10)18-9-19-15(14)17-7-12-5-3-2-4-11(12)6-16/h2-5,8-9H,6-7,16H2,1H3,(H,17,18,19)
InChIKeyUFJYRYVEOXFAPU-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol
CID 102686720
N-[(3-ethyl-2-pyridinyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686617
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686195
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102687370
2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142308
7-methyl-N-(1,2-oxazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 106419173
2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 102687379
N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687355
7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686662

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686834) is N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NCc3ccccc3CN)ncnc12.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is UFJYRYVEOXFAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-8-20-14-13(10)18-9-19-15(14)17-7-12-5-3-2-4-11(12)6-16/h2-5,8-9H,6-7,16H2,1H3,(H,17,18,19).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).