2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

C19H31N5O2 — CID 70751277

IUPAC2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCCN(C)CC(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C19H31N5O2/c1-4-22(3)14-19(25)24-7-5-16(6-8-24)17-13-18(21-15(2)20-17)23-9-11-26-12-10-23/h13,16H,4-12,14H2,1-3H3
InChIKeyPYXWJQOXYUWMHI-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.28
Rot. Bonds5

About 2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 70751277) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID70751277
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCCN(C)CC(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C19H31N5O2/c1-4-22(3)14-19(25)24-7-5-16(6-8-24)17-13-18(21-15(2)20-17)23-9-11-26-12-10-23/h13,16H,4-12,14H2,1-3H3
InChIKeyPYXWJQOXYUWMHI-UHFFFAOYSA-N
XLogP1.28
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 70751277) is 2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is CCN(C)CC(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is PYXWJQOXYUWMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-4-22(3)14-19(25)24-7-5-16(6-8-24)17-13-18(21-15(2)20-17)23-9-11-26-12-10-23/h13,16H,4-12,14H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 361.49 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70751277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).