N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide

C16H21N5O — CID 71799969

IUPACN-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCNc1cc(-n2cccc2)ncn1)C1CCCC1
InChIInChI=1S/C16H21N5O/c22-16(13-5-1-2-6-13)18-8-7-17-14-11-15(20-12-19-14)21-9-3-4-10-21/h3-4,9-13H,1-2,5-8H2,(H,18,22)(H,17,19,20)
InChIKeyZZCGMCJXQISKLS-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.99
Rot. Bonds6

About N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide

N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide (PubChem CID 71799969) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide
PubChem CID71799969
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCNc1cc(-n2cccc2)ncn1)C1CCCC1
InChIInChI=1S/C16H21N5O/c22-16(13-5-1-2-6-13)18-8-7-17-14-11-15(20-12-19-14)21-9-3-4-10-21/h3-4,9-13H,1-2,5-8H2,(H,18,22)(H,17,19,20)
InChIKeyZZCGMCJXQISKLS-UHFFFAOYSA-N
XLogP1.99
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfonyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 71799996
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclobutanecarboxamide
CID 122308607
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclobutanecarboxamide
CID 122290861
1-(3,4-dimethylphenyl)-5-oxo-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyrrolidine-3-carboxamide
CID 122308134
2-(1-adamantyl)-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122308220
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122308040
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
4-methyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308022
3,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308024
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide (CID 71799969) is N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide is O=C(NCCNc1cc(-n2cccc2)ncn1)C1CCCC1.
What is the InChIKey of N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide?
The InChIKey is ZZCGMCJXQISKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c22-16(13-5-1-2-6-13)18-8-7-17-14-11-15(20-12-19-14)21-9-3-4-10-21/h3-4,9-13H,1-2,5-8H2,(H,18,22)(H,17,19,20).
What are the key properties of N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide?
N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 71799969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).