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

C13H18N4S — CID 114203179

IUPACN-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
SMILESCCC(CC1CC1)Nc1ncnc2snc(C)c12
InChIInChI=1S/C13H18N4S/c1-3-10(6-9-4-5-9)16-12-11-8(2)17-18-13(11)15-7-14-12/h7,9-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyZHHKTVXTUHGGJE-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.39
Rot. Bonds5

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

N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine (PubChem CID 114203179) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
PubChem CID114203179
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
SMILESCCC(CC1CC1)Nc1ncnc2snc(C)c12
InChIInChI=1S/C13H18N4S/c1-3-10(6-9-4-5-9)16-12-11-8(2)17-18-13(11)15-7-14-12/h7,9-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyZHHKTVXTUHGGJE-UHFFFAOYSA-N
XLogP3.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine (CID 114203179) is N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine is CCC(CC1CC1)Nc1ncnc2snc(C)c12.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZHHKTVXTUHGGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-10(6-9-4-5-9)16-12-11-8(2)17-18-13(11)15-7-14-12/h7,9-10H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 114203179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).