2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide

C20H27N5O — CID 122324222

IUPAC2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCNc1cc(Nc2ccc(NC(=O)CC3CCCC3)cc2)nc(C)n1
InChIInChI=1S/C20H27N5O/c1-3-21-18-13-19(23-14(2)22-18)24-16-8-10-17(11-9-16)25-20(26)12-15-6-4-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,25,26)(H2,21,22,23,24)
InChIKeyJQHOKOXVUSBBHJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.48
Rot. Bonds7

About 2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide

2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122324222) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID122324222
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCNc1cc(Nc2ccc(NC(=O)CC3CCCC3)cc2)nc(C)n1
InChIInChI=1S/C20H27N5O/c1-3-21-18-13-19(23-14(2)22-18)24-16-8-10-17(11-9-16)25-20(26)12-15-6-4-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,25,26)(H2,21,22,23,24)
InChIKeyJQHOKOXVUSBBHJ-UHFFFAOYSA-N
XLogP4.48
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296738
2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317160
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide
CID 122324029
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 122324032
2-cyclohexyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108756571
4-bromo-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122324436
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-(2-fluorophenyl)acetamide
CID 122324278
3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide
CID 122296736
2-cyclopentyl-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 27478141
2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293395
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122324106
3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 46267959

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide (CID 122324222) is 2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide is CCNc1cc(Nc2ccc(NC(=O)CC3CCCC3)cc2)nc(C)n1.
What is the InChIKey of 2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is JQHOKOXVUSBBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-21-18-13-19(23-14(2)22-18)24-16-8-10-17(11-9-16)25-20(26)12-15-6-4-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of 2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122324222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).