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

C12H16ClN5O — CID 106405598

IUPAC6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCCc2ncno2)n1
InChIInChI=1S/C12H16ClN5O/c1-3-4-9-17-11(13)8(2)12(18-9)14-6-5-10-15-7-16-19-10/h7H,3-6H2,1-2H3,(H,14,17,18)
InChIKeyMXFMVSQOOMVXJW-UHFFFAOYSA-N
MW281.75 g/mol
LogP2.43
Rot. Bonds6

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

6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine (PubChem CID 106405598) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine
PubChem CID106405598
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCCc2ncno2)n1
InChIInChI=1S/C12H16ClN5O/c1-3-4-9-17-11(13)8(2)12(18-9)14-6-5-10-15-7-16-19-10/h7H,3-6H2,1-2H3,(H,14,17,18)
InChIKeyMXFMVSQOOMVXJW-UHFFFAOYSA-N
XLogP2.43
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
6-chloro-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80971966
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80971632
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106412113
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
CID 106412478
5-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106412100
5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106411995
6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 114126490
6-chloro-5-methyl-N-(3-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80972477

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine (CID 106405598) is 6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCCc2ncno2)n1.
What is the InChIKey of 6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine?
The InChIKey is MXFMVSQOOMVXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-3-4-9-17-11(13)8(2)12(18-9)14-6-5-10-15-7-16-19-10/h7H,3-6H2,1-2H3,(H,14,17,18).
What are the key properties of 6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine?
6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine has a molecular weight of 281.75 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 106405598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).