2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide

C20H25N5O2 — CID 171359226

IUPAC2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)NC2COCC2N2CCCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C20H25N5O2/c21-20-22-11-15(18(24-20)14-7-3-1-4-8-14)19(26)23-16-12-27-13-17(16)25-9-5-2-6-10-25/h1,3-4,7-8,11,16-17H,2,5-6,9-10,12-13H2,(H,23,26)(H2,21,22,24)
InChIKeyRIDVXLLQNDAISQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.71
Rot. Bonds4

About 2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide

2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide (PubChem CID 171359226) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide
PubChem CID171359226
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)NC2COCC2N2CCCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C20H25N5O2/c21-20-22-11-15(18(24-20)14-7-3-1-4-8-14)19(26)23-16-12-27-13-17(16)25-9-5-2-6-10-25/h1,3-4,7-8,11,16-17H,2,5-6,9-10,12-13H2,(H,23,26)(H2,21,22,24)
InChIKeyRIDVXLLQNDAISQ-UHFFFAOYSA-N
XLogP1.71
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide (CID 171359226) is 2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide is Nc1ncc(C(=O)NC2COCC2N2CCCCC2)c(-c2ccccc2)n1.
What is the InChIKey of 2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide?
The InChIKey is RIDVXLLQNDAISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-20-22-11-15(18(24-20)14-7-3-1-4-8-14)19(26)23-16-12-27-13-17(16)25-9-5-2-6-10-25/h1,3-4,7-8,11,16-17H,2,5-6,9-10,12-13H2,(H,23,26)(H2,21,22,24).
What are the key properties of 2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide?
2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-N-(4-piperidin-1-yloxolan-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 171359226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).