2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide

C22H33N5O3 — CID 92618749

IUPAC2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1
InChIInChI=1S/C22H33N5O3/c28-20(15-17-5-1-2-6-17)23-8-7-19-18(21(29)26-9-3-4-10-26)16-24-22(25-19)27-11-13-30-14-12-27/h16-17H,1-15H2,(H,23,28)
InChIKeyQYRDIHFYUHXAHT-UHFFFAOYSA-N
MW415.54 g/mol
LogP1.79
Rot. Bonds7

About 2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide

2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide (PubChem CID 92618749) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
PubChem CID92618749
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1
InChIInChI=1S/C22H33N5O3/c28-20(15-17-5-1-2-6-17)23-8-7-19-18(21(29)26-9-3-4-10-26)16-24-22(25-19)27-11-13-30-14-12-27/h16-17H,1-15H2,(H,23,28)
InChIKeyQYRDIHFYUHXAHT-UHFFFAOYSA-N
XLogP1.79
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
CID 92619497
N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide
CID 95816321
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide
CID 92619551
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46295281
4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 92619545
2-cyclopropyl-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetamide
CID 122320498
4-ethyl-2-morpholin-4-yl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 92588463
4-cycloheptylsulfanyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 68925255
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide
CID 68789631

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide (CID 92618749) is 2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide is O=C(CC1CCCC1)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide?
The InChIKey is QYRDIHFYUHXAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c28-20(15-17-5-1-2-6-17)23-8-7-19-18(21(29)26-9-3-4-10-26)16-24-22(25-19)27-11-13-30-14-12-27/h16-17H,1-15H2,(H,23,28).
What are the key properties of 2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide?
2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 92618749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).