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

C12H18N4S — CID 102687379

IUPAC2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
SMILESCc1csc2c(NCC(C)CCN)ncnc12
InChIInChI=1S/C12H18N4S/c1-8(3-4-13)5-14-12-11-10(15-7-16-12)9(2)6-17-11/h6-8H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyNCKFCYIKQKTINI-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.40
Rot. Bonds5

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

2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine (PubChem CID 102687379) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
PubChem CID102687379
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
SMILESCc1csc2c(NCC(C)CCN)ncnc12
InChIInChI=1S/C12H18N4S/c1-8(3-4-13)5-14-12-11-10(15-7-16-12)9(2)6-17-11/h6-8H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyNCKFCYIKQKTINI-UHFFFAOYSA-N
XLogP2.40
TPSA63.83 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 ≤ 52.40
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
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'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
N-(2-cyclopropylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686678
2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142308
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
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686212
N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine (CID 102687379) is 2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine is Cc1csc2c(NCC(C)CCN)ncnc12.
What is the InChIKey of 2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine?
The InChIKey is NCKFCYIKQKTINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8(3-4-13)5-14-12-11-10(15-7-16-12)9(2)6-17-11/h6-8H,3-5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine?
2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine has a molecular weight of 250.37 g/mol, XLogP of 2.40, 5 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)butane-1,4-diamine is sourced from PubChem (CID 102687379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).