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

C8H8ClN5O — CID 102677497

IUPAC5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(CNc2ncncc2Cl)no1
InChIInChI=1S/C8H8ClN5O/c1-5-13-7(14-15-5)3-11-8-6(9)2-10-4-12-8/h2,4H,3H2,1H3,(H,10,11,12)
InChIKeyRBKMIRHHKJHFKH-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.43
Rot. Bonds3

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

5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 102677497) has the molecular formula C8H8ClN5O and a molecular weight of 225.64 g/mol. Its IUPAC name is 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID102677497
Molecular FormulaC8H8ClN5O
Molecular Weight225.64 g/mol
Exact Mass225.04
IUPAC Name5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(CNc2ncncc2Cl)no1
InChIInChI=1S/C8H8ClN5O/c1-5-13-7(14-15-5)3-11-8-6(9)2-10-4-12-8/h2,4H,3H2,1H3,(H,10,11,12)
InChIKeyRBKMIRHHKJHFKH-UHFFFAOYSA-N
XLogP1.43
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 106392946
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375
3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411585
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
CID 146105482
3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 106402597
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114185482
2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
CID 114182998
2,6-dichloro-4-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113369511
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
2-chloro-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103768023
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (CID 102677497) is 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is Cc1nc(CNc2ncncc2Cl)no1.
What is the InChIKey of 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is RBKMIRHHKJHFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O/c1-5-13-7(14-15-5)3-11-8-6(9)2-10-4-12-8/h2,4H,3H2,1H3,(H,10,11,12).
What are the key properties of 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 225.64 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 102677497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).