N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide

C20H34N6O2 — CID 117083685

IUPACN,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2cc(NCCN3CCOCC3)ncn2)C1
InChIInChI=1S/C20H34N6O2/c1-3-25(4-2)20(27)17-6-5-8-26(15-17)19-14-18(22-16-23-19)21-7-9-24-10-12-28-13-11-24/h14,16-17H,3-13,15H2,1-2H3,(H,21,22,23)
InChIKeyUOGQQWJFNOULKA-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.31
Rot. Bonds8

About N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide

N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 117083685) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID117083685
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC NameN,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2cc(NCCN3CCOCC3)ncn2)C1
InChIInChI=1S/C20H34N6O2/c1-3-25(4-2)20(27)17-6-5-8-26(15-17)19-14-18(22-16-23-19)21-7-9-24-10-12-28-13-11-24/h14,16-17H,3-13,15H2,1-2H3,(H,21,22,23)
InChIKeyUOGQQWJFNOULKA-UHFFFAOYSA-N
XLogP1.31
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide (CID 117083685) is N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(c2cc(NCCN3CCOCC3)ncn2)C1.
What is the InChIKey of N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is UOGQQWJFNOULKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-3-25(4-2)20(27)17-6-5-8-26(15-17)19-14-18(22-16-23-19)21-7-9-24-10-12-28-13-11-24/h14,16-17H,3-13,15H2,1-2H3,(H,21,22,23).
What are the key properties of N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 117083685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).