6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

C9H10ClN5O2 — CID 106405714

IUPAC6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1NCCc1ncon1
InChIInChI=1S/C9H10ClN5O2/c1-16-7-8(10)12-4-13-9(7)11-3-2-6-14-5-17-15-6/h4-5H,2-3H2,1H3,(H,11,12,13)
InChIKeyLFUYRIFJIDTUAN-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.18
Rot. Bonds5

About 6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 106405714) has the molecular formula C9H10ClN5O2 and a molecular weight of 255.66 g/mol. Its IUPAC name is 6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID106405714
Molecular FormulaC9H10ClN5O2
Molecular Weight255.66 g/mol
Exact Mass255.05
IUPAC Name6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1c(Cl)ncnc1NCCc1ncon1
InChIInChI=1S/C9H10ClN5O2/c1-16-7-8(10)12-4-13-9(7)11-3-2-6-14-5-17-15-6/h4-5H,2-3H2,1H3,(H,11,12,13)
InChIKeyLFUYRIFJIDTUAN-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

6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 106394063
6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114183130
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106404505
5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107318311
5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412553
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 106412550
6-chloro-5-methoxy-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 106194240
6-chloro-5-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195121
2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405726
4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]quinazoline-7-carboxylic acid
CID 106400993
6-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114185738
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-7H-purin-6-amine
CID 114184557

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 106405714) is 6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is COc1c(Cl)ncnc1NCCc1ncon1.
What is the InChIKey of 6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is LFUYRIFJIDTUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2/c1-16-7-8(10)12-4-13-9(7)11-3-2-6-14-5-17-15-6/h4-5H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-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 6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106405714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).