N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine

C17H23N5O2 — CID 56796824

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccc(N3CC(C)OC(C)C3)nc2)n1
InChIInChI=1S/C17H23N5O2/c1-12-10-22(11-13(2)24-12)15-5-4-14(8-19-15)9-20-17-18-7-6-16(21-17)23-3/h4-8,12-13H,9-11H2,1-3H3,(H,18,20,21)
InChIKeyVPBMMWYVWITNHV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.11
Rot. Bonds5

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine (PubChem CID 56796824) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine
PubChem CID56796824
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccc(N3CC(C)OC(C)C3)nc2)n1
InChIInChI=1S/C17H23N5O2/c1-12-10-22(11-13(2)24-12)15-5-4-14(8-19-15)9-20-17-18-7-6-16(21-17)23-3/h4-8,12-13H,9-11H2,1-3H3,(H,18,20,21)
InChIKeyVPBMMWYVWITNHV-UHFFFAOYSA-N
XLogP2.11
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine (CID 56796824) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCc2ccc(N3CC(C)OC(C)C3)nc2)n1.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is VPBMMWYVWITNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-10-22(11-13(2)24-12)15-5-4-14(8-19-15)9-20-17-18-7-6-16(21-17)23-3/h4-8,12-13H,9-11H2,1-3H3,(H,18,20,21).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 329.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 56796824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).