N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine

C23H33N5O — CID 46977086

IUPACN-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine
SMILESCC1CCN(c2ncc(CN(C)Cc3ccccc3N3CCOCC3)cn2)CC1
InChIInChI=1S/C23H33N5O/c1-19-7-9-28(10-8-19)23-24-15-20(16-25-23)17-26(2)18-21-5-3-4-6-22(21)27-11-13-29-14-12-27/h3-6,15-16,19H,7-14,17-18H2,1-2H3
InChIKeyDGSVUGGYZSWHJK-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.18
Rot. Bonds6

About N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine

N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine (PubChem CID 46977086) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine
PubChem CID46977086
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine
SMILESCC1CCN(c2ncc(CN(C)Cc3ccccc3N3CCOCC3)cn2)CC1
InChIInChI=1S/C23H33N5O/c1-19-7-9-28(10-8-19)23-24-15-20(16-25-23)17-26(2)18-21-5-3-4-6-22(21)27-11-13-29-14-12-27/h3-6,15-16,19H,7-14,17-18H2,1-2H3
InChIKeyDGSVUGGYZSWHJK-UHFFFAOYSA-N
XLogP3.18
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine?
The IUPAC name of N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine (CID 46977086) is N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine?
The canonical SMILES for N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine is CC1CCN(c2ncc(CN(C)Cc3ccccc3N3CCOCC3)cn2)CC1.
What is the InChIKey of N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine?
The InChIKey is DGSVUGGYZSWHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-19-7-9-28(10-8-19)23-24-15-20(16-25-23)17-26(2)18-21-5-3-4-6-22(21)27-11-13-29-14-12-27/h3-6,15-16,19H,7-14,17-18H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine?
N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine has a molecular weight of 395.55 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine is sourced from PubChem (CID 46977086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).