N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine

C14H20N6O — CID 110112883

IUPACN-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
SMILESCNc1nccnc1C1CN(Cc2cncn2C)CCO1
InChIInChI=1S/C14H20N6O/c1-15-14-13(17-3-4-18-14)12-9-20(5-6-21-12)8-11-7-16-10-19(11)2/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,15,18)
InChIKeyPTMJYZLDFFSMKC-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.83
Rot. Bonds4

About N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine

N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine (PubChem CID 110112883) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
PubChem CID110112883
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
SMILESCNc1nccnc1C1CN(Cc2cncn2C)CCO1
InChIInChI=1S/C14H20N6O/c1-15-14-13(17-3-4-18-14)12-9-20(5-6-21-12)8-11-7-16-10-19(11)2/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,15,18)
InChIKeyPTMJYZLDFFSMKC-UHFFFAOYSA-N
XLogP0.83
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The IUPAC name of N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine (CID 110112883) is N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The canonical SMILES for N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine is CNc1nccnc1C1CN(Cc2cncn2C)CCO1.
What is the InChIKey of N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The InChIKey is PTMJYZLDFFSMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-15-14-13(17-3-4-18-14)12-9-20(5-6-21-12)8-11-7-16-10-19(11)2/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine has a molecular weight of 288.35 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 110112883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).