3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine

C17H21ClN4O — CID 174213938

IUPAC3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine
SMILESCC(C)C1CN(c2ccc(-c3cnc(N)c(Cl)n3)cc2)CCO1
InChIInChI=1S/C17H21ClN4O/c1-11(2)15-10-22(7-8-23-15)13-5-3-12(4-6-13)14-9-20-17(19)16(18)21-14/h3-6,9,11,15H,7-8,10H2,1-2H3,(H2,19,20)
InChIKeyUKVMUMSJSOWKEH-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.24
Rot. Bonds3

About 3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine

3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine (PubChem CID 174213938) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine
PubChem CID174213938
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine
SMILESCC(C)C1CN(c2ccc(-c3cnc(N)c(Cl)n3)cc2)CCO1
InChIInChI=1S/C17H21ClN4O/c1-11(2)15-10-22(7-8-23-15)13-5-3-12(4-6-13)14-9-20-17(19)16(18)21-14/h3-6,9,11,15H,7-8,10H2,1-2H3,(H2,19,20)
InChIKeyUKVMUMSJSOWKEH-UHFFFAOYSA-N
XLogP3.24
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine (CID 174213938) is 3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine is CC(C)C1CN(c2ccc(-c3cnc(N)c(Cl)n3)cc2)CCO1.
What is the InChIKey of 3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine?
The InChIKey is UKVMUMSJSOWKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11(2)15-10-22(7-8-23-15)13-5-3-12(4-6-13)14-9-20-17(19)16(18)21-14/h3-6,9,11,15H,7-8,10H2,1-2H3,(H2,19,20).
What are the key properties of 3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine?
3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine has a molecular weight of 332.84 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 174213938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).