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

C10H12ClN5O — CID 106421609

IUPAC6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1noc(CCNc2ncnc(Cl)c2C)n1
InChIInChI=1S/C10H12ClN5O/c1-6-9(11)13-5-14-10(6)12-4-3-8-15-7(2)16-17-8/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyYGONEXZCIMOHDR-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.78
Rot. Bonds4

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

6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106421609) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106421609
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1noc(CCNc2ncnc(Cl)c2C)n1
InChIInChI=1S/C10H12ClN5O/c1-6-9(11)13-5-14-10(6)12-4-3-8-15-7(2)16-17-8/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyYGONEXZCIMOHDR-UHFFFAOYSA-N
XLogP1.78
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-5-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106424403
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424383
5-ethyl-6-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106424754
6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103880030
3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 106424413
5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 75377092
3,5-dichloro-6-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106424765
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103761485
4-chloro-2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 114186752
N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 106421609) is 6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is Cc1noc(CCNc2ncnc(Cl)c2C)n1.
What is the InChIKey of 6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is YGONEXZCIMOHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-6-9(11)13-5-14-10(6)12-4-3-8-15-7(2)16-17-8/h5H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
6-chloro-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 253.69 g/mol, XLogP of 1.78, 4 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-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106421609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).