[2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine

C12H20N4O — CID 107541667

IUPAC[2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(N2CCOC(C)(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-9-6-10(7-13)15-11(14-9)16-4-5-17-12(2,3)8-16/h6H,4-5,7-8,13H2,1-3H3
InChIKeyNFVCQANJPCGIMR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.86
Rot. Bonds2

About [2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine

[2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine (PubChem CID 107541667) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine
PubChem CID107541667
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(N2CCOC(C)(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-9-6-10(7-13)15-11(14-9)16-4-5-17-12(2,3)8-16/h6H,4-5,7-8,13H2,1-3H3
InChIKeyNFVCQANJPCGIMR-UHFFFAOYSA-N
XLogP0.86
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine (CID 107541667) is [2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(N2CCOC(C)(C)C2)n1.
What is the InChIKey of [2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is NFVCQANJPCGIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-6-10(7-13)15-11(14-9)16-4-5-17-12(2,3)8-16/h6H,4-5,7-8,13H2,1-3H3.
What are the key properties of [2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine?
[2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 107541667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).