N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine

C9H13N5S — CID 83839207

IUPACN'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1nc2c(N(C)CCN)ncnc2s1
InChIInChI=1S/C9H13N5S/c1-6-13-7-8(14(2)4-3-10)11-5-12-9(7)15-6/h5H,3-4,10H2,1-2H3
InChIKeyJVXFGTFXLMPEBZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.79
Rot. Bonds3

About N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine

N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 83839207) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID83839207
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC NameN'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1nc2c(N(C)CCN)ncnc2s1
InChIInChI=1S/C9H13N5S/c1-6-13-7-8(14(2)4-3-10)11-5-12-9(7)15-6/h5H,3-4,10H2,1-2H3
InChIKeyJVXFGTFXLMPEBZ-UHFFFAOYSA-N
XLogP0.79
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine (CID 83839207) is N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine is Cc1nc2c(N(C)CCN)ncnc2s1.
What is the InChIKey of N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is JVXFGTFXLMPEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-13-7-8(14(2)4-3-10)11-5-12-9(7)15-6/h5H,3-4,10H2,1-2H3.
What are the key properties of N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine?
N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine has a molecular weight of 223.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 83839207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).