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

C9H10ClN5O2 — CID 103794340

IUPAC5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCCc2ncno2)n1
InChIInChI=1S/C9H10ClN5O2/c1-16-9-12-4-6(10)8(15-9)11-3-2-7-13-5-14-17-7/h4-5H,2-3H2,1H3,(H,11,12,15)
InChIKeySKGNOHNJIUPQKJ-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.18
Rot. Bonds5

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

5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 103794340) has the molecular formula C9H10ClN5O2 and a molecular weight of 255.66 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID103794340
Molecular FormulaC9H10ClN5O2
Molecular Weight255.66 g/mol
Exact Mass255.05
IUPAC Name5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCCc2ncno2)n1
InChIInChI=1S/C9H10ClN5O2/c1-16-9-12-4-6(10)8(15-9)11-3-2-7-13-5-14-17-7/h4-5H,2-3H2,1H3,(H,11,12,15)
InChIKeySKGNOHNJIUPQKJ-UHFFFAOYSA-N
XLogP1.18
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80758192
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 106306445
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
5-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106403802
5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
CID 103746110
N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide
CID 112700846
N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80757950
methyl 6-[(5-chloro-2-methoxypyrimidin-4-yl)amino]hexanoate
CID 80753174
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 103794340) is 5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is COc1ncc(Cl)c(NCCc2ncno2)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is SKGNOHNJIUPQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2/c1-16-9-12-4-6(10)8(15-9)11-3-2-7-13-5-14-17-7/h4-5H,2-3H2,1H3,(H,11,12,15).
What are the key properties of 5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 255.66 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103794340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).