2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

C15H23N5O3 — CID 20959446

IUPAC2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C15H23N5O3/c21-14(16-1-2-19-3-7-22-8-4-19)13-11-17-15(18-12-13)20-5-9-23-10-6-20/h11-12H,1-10H2,(H,16,21)
InChIKeyNFZZQQKAEPGVFI-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.62
Rot. Bonds5

About 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 20959446) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID20959446
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C15H23N5O3/c21-14(16-1-2-19-3-7-22-8-4-19)13-11-17-15(18-12-13)20-5-9-23-10-6-20/h11-12H,1-10H2,(H,16,21)
InChIKeyNFZZQQKAEPGVFI-UHFFFAOYSA-N
XLogP-0.62
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (CID 20959446) is 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is O=C(NCCN1CCOCC1)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is NFZZQQKAEPGVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c21-14(16-1-2-19-3-7-22-8-4-19)13-11-17-15(18-12-13)20-5-9-23-10-6-20/h11-12H,1-10H2,(H,16,21).
What are the key properties of 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 20959446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).