6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine

C9H10ClN5O — CID 103744300

IUPAC6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCCc2ncno2)n1
InChIInChI=1S/C9H10ClN5O/c1-6-14-7(10)4-8(15-6)11-3-2-9-12-5-13-16-9/h4-5H,2-3H2,1H3,(H,11,14,15)
InChIKeyWOUYMUAAYZTGNO-UHFFFAOYSA-N
MW239.67 g/mol
LogP1.48
Rot. Bonds4

About 6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine

6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 103744300) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID103744300
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCCc2ncno2)n1
InChIInChI=1S/C9H10ClN5O/c1-6-14-7(10)4-8(15-6)11-3-2-9-12-5-13-16-9/h4-5H,2-3H2,1H3,(H,11,14,15)
InChIKeyWOUYMUAAYZTGNO-UHFFFAOYSA-N
XLogP1.48
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106405623
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106405558
6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106405527
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-(ethoxymethyl)-6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106411986
N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 133288706
6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine
CID 106405598
7-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106403983
6-methoxy-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 114183079
4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 103744395
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine
CID 103744283
5-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106403802

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 103744300) is 6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is Cc1nc(Cl)cc(NCCc2ncno2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is WOUYMUAAYZTGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-6-14-7(10)4-8(15-6)11-3-2-9-12-5-13-16-9/h4-5H,2-3H2,1H3,(H,11,14,15).
What are the key properties of 6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 239.67 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103744300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).