2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide

C19H25N5O2 — CID 122327629

IUPAC2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESO=C(COCc1ccccc1)NCCNc1cc(N2CCCC2)ncn1
InChIInChI=1S/C19H25N5O2/c25-19(14-26-13-16-6-2-1-3-7-16)21-9-8-20-17-12-18(23-15-22-17)24-10-4-5-11-24/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,21,25)(H,20,22,23)
InChIKeyUIQPCQWSMMQVBU-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.82
Rot. Bonds9

About 2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide

2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 122327629) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID122327629
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESO=C(COCc1ccccc1)NCCNc1cc(N2CCCC2)ncn1
InChIInChI=1S/C19H25N5O2/c25-19(14-26-13-16-6-2-1-3-7-16)21-9-8-20-17-12-18(23-15-22-17)24-10-4-5-11-24/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,21,25)(H,20,22,23)
InChIKeyUIQPCQWSMMQVBU-UHFFFAOYSA-N
XLogP1.82
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenylmethoxyacetamide
CID 122294181
3,3,3-trifluoro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122327666
4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide
CID 90544865
benzyl N-[2-oxo-2-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethylamino]ethyl]carbamate
CID 122308248
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 122326280
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122327578
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122327533
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide
CID 122327585
1-naphthalen-2-yl-3-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 56920649
2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327933

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of 2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide (CID 122327629) is 2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide is O=C(COCc1ccccc1)NCCNc1cc(N2CCCC2)ncn1.
What is the InChIKey of 2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is UIQPCQWSMMQVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-19(14-26-13-16-6-2-1-3-7-16)21-9-8-20-17-12-18(23-15-22-17)24-10-4-5-11-24/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,21,25)(H,20,22,23).
What are the key properties of 2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122327629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).