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

C9H13N5S — CID 83839204

IUPACN'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
SMILESCc1nc(N(C)CCN)nc2ncsc12
InChIInChI=1S/C9H13N5S/c1-6-7-8(11-5-15-7)13-9(12-6)14(2)4-3-10/h5H,3-4,10H2,1-2H3
InChIKeyVRQKVOHJOOXEIR-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.79
Rot. Bonds3

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

N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine (PubChem CID 83839204) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
PubChem CID83839204
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC NameN'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
SMILESCc1nc(N(C)CCN)nc2ncsc12
InChIInChI=1S/C9H13N5S/c1-6-7-8(11-5-15-7)13-9(12-6)14(2)4-3-10/h5H,3-4,10H2,1-2H3
InChIKeyVRQKVOHJOOXEIR-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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Related Compounds

N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine
CID 83838341
N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 103279487
N'-methyl-N'-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-7-yl)ethane-1,2-diamine
CID 83838911
N'-(4-ethyl-5-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 103279506
N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 103279513
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
N'-methyl-N'-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116977309
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 107542037
N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
CID 83830323
N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 141105139
N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 103279381
N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 103279448

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine (CID 83839204) is N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine is Cc1nc(N(C)CCN)nc2ncsc12.
What is the InChIKey of N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine?
The InChIKey is VRQKVOHJOOXEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-7-8(11-5-15-7)13-9(12-6)14(2)4-3-10/h5H,3-4,10H2,1-2H3.
What are the key properties of N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine?
N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-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'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 83839204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).