2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide

C16H27N5O — CID 122295383

IUPAC2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)CC2CCCC2)n1
InChIInChI=1S/C16H27N5O/c1-12-10-14(21(2)3)20-16(19-12)18-9-8-17-15(22)11-13-6-4-5-7-13/h10,13H,4-9,11H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyUVURGHQYJFPBRP-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.96
Rot. Bonds7

About 2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide

2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 122295383) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID122295383
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)CC2CCCC2)n1
InChIInChI=1S/C16H27N5O/c1-12-10-14(21(2)3)20-16(19-12)18-9-8-17-15(22)11-13-6-4-5-7-13/h10,13H,4-9,11H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyUVURGHQYJFPBRP-UHFFFAOYSA-N
XLogP1.96
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.96
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

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 121075291
2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293653
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-pyrrol-1-ylacetamide
CID 122295487
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 121075363
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121075329
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122295436
4-(dimethylamino)-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122295420
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122295416
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 122295387
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122295488
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 122295473
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide
CID 50947492

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide (CID 122295383) is 2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide is Cc1cc(N(C)C)nc(NCCNC(=O)CC2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is UVURGHQYJFPBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12-10-14(21(2)3)20-16(19-12)18-9-8-17-15(22)11-13-6-4-5-7-13/h10,13H,4-9,11H2,1-3H3,(H,17,22)(H,18,19,20).
What are the key properties of 2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide?
2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 305.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122295383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).