7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine

C12H17N3OS — CID 102686662

IUPAC7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCCOC(C)C)ncnc12
InChIInChI=1S/C12H17N3OS/c1-8(2)16-5-4-13-12-11-10(14-7-15-12)9(3)6-17-11/h6-8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyQMCAISNYRQUZFH-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.84
Rot. Bonds5

About 7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine

7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686662) has the molecular formula C12H17N3OS and a molecular weight of 251.36 g/mol. Its IUPAC name is 7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID102686662
Molecular FormulaC12H17N3OS
Molecular Weight251.36 g/mol
Exact Mass251.11
IUPAC Name7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCCOC(C)C)ncnc12
InChIInChI=1S/C12H17N3OS/c1-8(2)16-5-4-13-12-11-10(14-7-15-12)9(3)6-17-11/h6-8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyQMCAISNYRQUZFH-UHFFFAOYSA-N
XLogP2.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686687
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
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671
N-(2-cyclopropylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686678
N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686665
2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102687370
2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 102687379
N-butan-2-yl-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686318
3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
CID 102686564

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine (CID 102686662) is 7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NCCOC(C)C)ncnc12.
What is the InChIKey of 7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QMCAISNYRQUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8(2)16-5-4-13-12-11-10(14-7-15-12)9(3)6-17-11/h6-8H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine?
7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 251.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).