5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine

C15H14Cl2N6O2 — CID 71577392

IUPAC5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(OC)c(-c3nc(C)no3)cc2Cl)ncc1Cl
InChIInChI=1S/C15H14Cl2N6O2/c1-7-20-14(25-23-7)8-4-9(16)11(5-12(8)24-3)21-15-19-6-10(17)13(18-2)22-15/h4-6H,1-3H3,(H2,18,19,21,22)
InChIKeyHNESCXSZJOMIAK-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.94
Rot. Bonds5

About 5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine

5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 71577392) has the molecular formula C15H14Cl2N6O2 and a molecular weight of 381.22 g/mol. Its IUPAC name is 5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID71577392
Molecular FormulaC15H14Cl2N6O2
Molecular Weight381.22 g/mol
Exact Mass380.06
IUPAC Name5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(OC)c(-c3nc(C)no3)cc2Cl)ncc1Cl
InChIInChI=1S/C15H14Cl2N6O2/c1-7-20-14(25-23-7)8-4-9(16)11(5-12(8)24-3)21-15-19-6-10(17)13(18-2)22-15/h4-6H,1-3H3,(H2,18,19,21,22)
InChIKeyHNESCXSZJOMIAK-UHFFFAOYSA-N
XLogP3.94
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine (CID 71577392) is 5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine is CNc1nc(Nc2cc(OC)c(-c3nc(C)no3)cc2Cl)ncc1Cl.
What is the InChIKey of 5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is HNESCXSZJOMIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N6O2/c1-7-20-14(25-23-7)8-4-9(16)11(5-12(8)24-3)21-15-19-6-10(17)13(18-2)22-15/h4-6H,1-3H3,(H2,18,19,21,22).
What are the key properties of 5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 381.22 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[2-chloro-5-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 71577392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).