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

C22H31N5O — CID 122296738

IUPAC2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)CC3CCCC3)cc2)nc(C)n1
InChIInChI=1S/C22H31N5O/c1-4-27(5-2)21-15-20(23-16(3)24-21)25-18-10-12-19(13-11-18)26-22(28)14-17-8-6-7-9-17/h10-13,15,17H,4-9,14H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyAVMRNRYZEAWRMA-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.89
Rot. Bonds8

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

2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122296738) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID122296738
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)CC3CCCC3)cc2)nc(C)n1
InChIInChI=1S/C22H31N5O/c1-4-27(5-2)21-15-20(23-16(3)24-21)25-18-10-12-19(13-11-18)26-22(28)14-17-8-6-7-9-17/h10-13,15,17H,4-9,14H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyAVMRNRYZEAWRMA-UHFFFAOYSA-N
XLogP4.89
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide
CID 122296736
2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324222
2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317160
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide
CID 122296737
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122296853
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethylbenzamide
CID 122296625
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122296854
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122296645
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 122296604
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide
CID 122296595
1-(1,3-benzodioxol-5-yl)-3-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]urea
CID 122296656

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide (CID 122296738) is 2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide is CCN(CC)c1cc(Nc2ccc(NC(=O)CC3CCCC3)cc2)nc(C)n1.
What is the InChIKey of 2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is AVMRNRYZEAWRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-4-27(5-2)21-15-20(23-16(3)24-21)25-18-10-12-19(13-11-18)26-22(28)14-17-8-6-7-9-17/h10-13,15,17H,4-9,14H2,1-3H3,(H,26,28)(H,23,24,25).
What are the key properties of 2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122296738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).