N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine

C13H16N6O — CID 110112877

IUPACN-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine
SMILESCNc1nccnc1C1CN(c2ccncn2)CCO1
InChIInChI=1S/C13H16N6O/c1-14-13-12(16-4-5-17-13)10-8-19(6-7-20-10)11-2-3-15-9-18-11/h2-5,9-10H,6-8H2,1H3,(H,14,17)
InChIKeyVFFIATQQLMLMSH-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.89
Rot. Bonds3

About N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine

N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine (PubChem CID 110112877) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine
PubChem CID110112877
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine
SMILESCNc1nccnc1C1CN(c2ccncn2)CCO1
InChIInChI=1S/C13H16N6O/c1-14-13-12(16-4-5-17-13)10-8-19(6-7-20-10)11-2-3-15-9-18-11/h2-5,9-10H,6-8H2,1H3,(H,14,17)
InChIKeyVFFIATQQLMLMSH-UHFFFAOYSA-N
XLogP0.89
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.89
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-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine?
The IUPAC name of N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine (CID 110112877) is N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine?
The canonical SMILES for N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine is CNc1nccnc1C1CN(c2ccncn2)CCO1.
What is the InChIKey of N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine?
The InChIKey is VFFIATQQLMLMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-14-13-12(16-4-5-17-13)10-8-19(6-7-20-10)11-2-3-15-9-18-11/h2-5,9-10H,6-8H2,1H3,(H,14,17).
What are the key properties of N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine?
N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-pyrimidin-4-ylmorpholin-2-yl)pyrazin-2-amine is sourced from PubChem (CID 110112877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).