N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine

C12H18N4S — CID 102686940

IUPACN,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1ncnc2c(C)csc12
InChIInChI=1S/C12H18N4S/c1-8(4-13-3)5-14-12-11-10(15-7-16-12)9(2)6-17-11/h6-8,13H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyAMXZASIONYRYGZ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.27
Rot. Bonds5

About N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine

N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 102686940) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID102686940
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1ncnc2c(C)csc12
InChIInChI=1S/C12H18N4S/c1-8(4-13-3)5-14-12-11-10(15-7-16-12)9(2)6-17-11/h6-8,13H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyAMXZASIONYRYGZ-UHFFFAOYSA-N
XLogP2.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102687370
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)butane-1,4-diamine
CID 102687379
N-(2-cyclopropylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686678
3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
CID 102686564
7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686662
4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 102686030
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
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686676
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine (CID 102686940) is N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine is CNCC(C)CNc1ncnc2c(C)csc12.
What is the InChIKey of N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is AMXZASIONYRYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8(4-13-3)5-14-12-11-10(15-7-16-12)9(2)6-17-11/h6-8,13H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 250.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 102686940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).