N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C17H27N5O2 — CID 46981662

IUPACN-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCOCC2)nc1)C1CCN(C)CC1
InChIInChI=1S/C17H27N5O2/c1-3-22(15-4-6-20(2)7-5-15)16(23)14-12-18-17(19-13-14)21-8-10-24-11-9-21/h12-13,15H,3-11H2,1-2H3
InChIKeyREEMASOPGHYDRP-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.87
Rot. Bonds4

About N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide

N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 46981662) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID46981662
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCOCC2)nc1)C1CCN(C)CC1
InChIInChI=1S/C17H27N5O2/c1-3-22(15-4-6-20(2)7-5-15)16(23)14-12-18-17(19-13-14)21-8-10-24-11-9-21/h12-13,15H,3-11H2,1-2H3
InChIKeyREEMASOPGHYDRP-UHFFFAOYSA-N
XLogP0.87
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 46981662) is N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(N2CCOCC2)nc1)C1CCN(C)CC1.
What is the InChIKey of N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is REEMASOPGHYDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-22(15-4-6-20(2)7-5-15)16(23)14-12-18-17(19-13-14)21-8-10-24-11-9-21/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 46981662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).