N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine

C11H15N5S — CID 114203402

IUPACN'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nsc2ncnc(N(CCN)C3CC3)c12
InChIInChI=1S/C11H15N5S/c1-7-9-10(13-6-14-11(9)17-15-7)16(5-4-12)8-2-3-8/h6,8H,2-5,12H2,1H3
InChIKeyQQTTXLXIHHDAHI-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.32
Rot. Bonds4

About N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 114203402) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID114203402
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nsc2ncnc(N(CCN)C3CC3)c12
InChIInChI=1S/C11H15N5S/c1-7-9-10(13-6-14-11(9)17-15-7)16(5-4-12)8-2-3-8/h6,8H,2-5,12H2,1H3
InChIKeyQQTTXLXIHHDAHI-UHFFFAOYSA-N
XLogP1.32
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloroethyl)-N-cyclobutyl-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203385
N'-cyclopentyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62588172
N'-cyclopentyl-N'-(3,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
CID 55218668
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'-cyclobutyl-N'-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 102874836
N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 102874680
4-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 114203372
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
CID 79717543
N'-cyclohexyl-N'-(5,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
CID 114477609
N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
CID 114203179
4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80799335

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 114203402) is N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine is Cc1nsc2ncnc(N(CCN)C3CC3)c12.
What is the InChIKey of N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is QQTTXLXIHHDAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-7-9-10(13-6-14-11(9)17-15-7)16(5-4-12)8-2-3-8/h6,8H,2-5,12H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 249.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114203402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).