N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine

C12H15ClN4S — CID 114203385

IUPACN-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nsc2ncnc(N(CCCl)C3CCC3)c12
InChIInChI=1S/C12H15ClN4S/c1-8-10-11(14-7-15-12(10)18-16-8)17(6-5-13)9-3-2-4-9/h7,9H,2-6H2,1H3
InChIKeySVZUJJRFMQHFHB-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.99
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine

N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine (PubChem CID 114203385) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
PubChem CID114203385
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nsc2ncnc(N(CCCl)C3CCC3)c12
InChIInChI=1S/C12H15ClN4S/c1-8-10-11(14-7-15-12(10)18-16-8)17(6-5-13)9-3-2-4-9/h7,9H,2-6H2,1H3
InChIKeySVZUJJRFMQHFHB-UHFFFAOYSA-N
XLogP2.99
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 114203402
N-(2-bromoethyl)-N-butyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203373
2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol
CID 114203332
N-(2-chloroethyl)-N-cyclobutyl-4-methylphthalazin-1-amine
CID 102871697
N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
CID 102871463
N-(2-chloroethyl)-N-cyclopentyl-5-methylpyridin-2-amine
CID 63388501
N-(2-chloroethyl)-N-cyclohexyl-4-methylphthalazin-1-amine
CID 63388318
N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine
CID 102871425
N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine
CID 63388277
N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203179
N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168874
3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine
CID 63390310

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine (CID 114203385) is N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine is Cc1nsc2ncnc(N(CCCl)C3CCC3)c12.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is SVZUJJRFMQHFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-8-10-11(14-7-15-12(10)18-16-8)17(6-5-13)9-3-2-4-9/h7,9H,2-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 282.80 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 114203385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).