7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C20H24N6O — CID 71113421

IUPAC7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCO3)n2)cc1
InChIInChI=1S/C20H24N6O/c1-26(2)15-5-3-14(4-6-15)17-11-18-19(23-8-7-22-18)20(25-17)24-13-16-12-21-9-10-27-16/h3-8,11,16,21H,9-10,12-13H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyHIQZEDANHFNNPN-MRXNPFEDSA-N
MW364.45 g/mol
LogP2.16
Rot. Bonds5

About 7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113421) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113421
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCO3)n2)cc1
InChIInChI=1S/C20H24N6O/c1-26(2)15-5-3-14(4-6-15)17-11-18-19(23-8-7-22-18)20(25-17)24-13-16-12-21-9-10-27-16/h3-8,11,16,21H,9-10,12-13H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyHIQZEDANHFNNPN-MRXNPFEDSA-N
XLogP2.16
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113421) is 7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is CN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCO3)n2)cc1.
What is the InChIKey of 7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is HIQZEDANHFNNPN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N6O/c1-26(2)15-5-3-14(4-6-15)17-11-18-19(23-8-7-22-18)20(25-17)24-13-16-12-21-9-10-27-16/h3-8,11,16,21H,9-10,12-13H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 364.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).