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

C11H16N4S — CID 102687370

IUPAC2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCc1csc2c(NCC(C)CN)ncnc12
InChIInChI=1S/C11H16N4S/c1-7(3-12)4-13-11-10-9(14-6-15-11)8(2)5-16-10/h5-7H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyADVATVRSXROWFD-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.01
Rot. Bonds4

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

2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 102687370) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID102687370
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCc1csc2c(NCC(C)CN)ncnc12
InChIInChI=1S/C11H16N4S/c1-7(3-12)4-13-11-10-9(14-6-15-11)8(2)5-16-10/h5-7H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyADVATVRSXROWFD-UHFFFAOYSA-N
XLogP2.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.01
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)butane-1,4-diamine
CID 102687379
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
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
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686662
2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142308
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-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686834
N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687372

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine (CID 102687370) is 2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine is Cc1csc2c(NCC(C)CN)ncnc12.
What is the InChIKey of 2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is ADVATVRSXROWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(3-12)4-13-11-10-9(14-6-15-11)8(2)5-16-10/h5-7H,3-4,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine?
2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 236.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 102687370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).