N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine

C11H13N3S — CID 102686671

IUPACN-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESC=CCCNc1ncnc2c(C)csc12
InChIInChI=1S/C11H13N3S/c1-3-4-5-12-11-10-9(13-7-14-11)8(2)6-15-10/h3,6-7H,1,4-5H2,2H3,(H,12,13,14)
InChIKeyYTPIFRWYEMOEFJ-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.99
Rot. Bonds4

About N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine

N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686671) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686671
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESC=CCCNc1ncnc2c(C)csc12
InChIInChI=1S/C11H13N3S/c1-3-4-5-12-11-10-9(13-7-14-11)8(2)6-15-10/h3,6-7H,1,4-5H2,2H3,(H,12,13,14)
InChIKeyYTPIFRWYEMOEFJ-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686662
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,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
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
2,2-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-(1-methylpyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686598

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686671) is N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine is C=CCCNc1ncnc2c(C)csc12.
What is the InChIKey of N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YTPIFRWYEMOEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-3-4-5-12-11-10-9(13-7-14-11)8(2)6-15-10/h3,6-7H,1,4-5H2,2H3,(H,12,13,14).
What are the key properties of N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 219.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).