2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide

C17H27N5O2 — CID 20959462

IUPAC2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H27N5O2/c23-16(18-5-4-8-21-6-2-1-3-7-21)15-13-19-17(20-14-15)22-9-11-24-12-10-22/h13-14H,1-12H2,(H,18,23)
InChIKeyWEJIOHUAXRQNCD-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.92
Rot. Bonds6

About 2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide

2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide (PubChem CID 20959462) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide
PubChem CID20959462
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H27N5O2/c23-16(18-5-4-8-21-6-2-1-3-7-21)15-13-19-17(20-14-15)22-9-11-24-12-10-22/h13-14H,1-12H2,(H,18,23)
InChIKeyWEJIOHUAXRQNCD-UHFFFAOYSA-N
XLogP0.92
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide (CID 20959462) is 2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide is O=C(NCCCN1CCCCC1)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of 2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide?
The InChIKey is WEJIOHUAXRQNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c23-16(18-5-4-8-21-6-2-1-3-7-21)15-13-19-17(20-14-15)22-9-11-24-12-10-22/h13-14H,1-12H2,(H,18,23).
What are the key properties of 2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide?
2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 20959462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).