N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C9H10N4S — CID 130748325

IUPACN-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESC=CCCNc1ncnc2scnc12
InChIInChI=1S/C9H10N4S/c1-2-3-4-10-8-7-9(12-5-11-8)14-6-13-7/h2,5-6H,1,3-4H2,(H,10,11,12)
InChIKeyCYMNNJMBZGTMKM-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.07
Rot. Bonds4

About N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 130748325) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID130748325
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC NameN-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESC=CCCNc1ncnc2scnc12
InChIInChI=1S/C9H10N4S/c1-2-3-4-10-8-7-9(12-5-11-8)14-6-13-7/h2,5-6H,1,3-4H2,(H,10,11,12)
InChIKeyCYMNNJMBZGTMKM-UHFFFAOYSA-N
XLogP2.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol
CID 131026666
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671
N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 126816115
N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338058
N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 130698432
2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
CID 58338043
2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 131113927
N-[2-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338071
N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine
CID 106196178
N-but-3-enyl-6-chloropyrimidin-4-amine
CID 106196174
6-bromo-N-but-3-enylpyrimidin-4-amine
CID 106196154
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 130748325) is N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is C=CCCNc1ncnc2scnc12.
What is the InChIKey of N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is CYMNNJMBZGTMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-2-3-4-10-8-7-9(12-5-11-8)14-6-13-7/h2,5-6H,1,3-4H2,(H,10,11,12).
What are the key properties of N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 206.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 130748325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).