4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide

C18H17N5O3 — CID 110246602

IUPAC4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CN(C(=O)c2cn3cccnc3n2)CCO1
InChIInChI=1S/C18H17N5O3/c24-16(20-13-5-2-1-3-6-13)15-12-22(9-10-26-15)17(25)14-11-23-8-4-7-19-18(23)21-14/h1-8,11,15H,9-10,12H2,(H,20,24)
InChIKeyBRWXHGXKPCHCPG-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.21
Rot. Bonds3

About 4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide

4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide (PubChem CID 110246602) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide
PubChem CID110246602
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CN(C(=O)c2cn3cccnc3n2)CCO1
InChIInChI=1S/C18H17N5O3/c24-16(20-13-5-2-1-3-6-13)15-12-22(9-10-26-15)17(25)14-11-23-8-4-7-19-18(23)21-14/h1-8,11,15H,9-10,12H2,(H,20,24)
InChIKeyBRWXHGXKPCHCPG-UHFFFAOYSA-N
XLogP1.21
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide?
The IUPAC name of 4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide (CID 110246602) is 4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide is O=C(Nc1ccccc1)C1CN(C(=O)c2cn3cccnc3n2)CCO1.
What is the InChIKey of 4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide?
The InChIKey is BRWXHGXKPCHCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-16(20-13-5-2-1-3-6-13)15-12-22(9-10-26-15)17(25)14-11-23-8-4-7-19-18(23)21-14/h1-8,11,15H,9-10,12H2,(H,20,24).
What are the key properties of 4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide?
4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 110246602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).