2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide

C17H27N5O — CID 122319908

IUPAC2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)CC1CCCC1
InChIInChI=1S/C17H27N5O/c1-21(2)16-14(19-15(23)11-13-7-3-4-8-13)12-18-17(20-16)22-9-5-6-10-22/h12-13H,3-11H2,1-2H3,(H,19,23)
InChIKeyBZZKTDWKCQQAOP-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.66
Rot. Bonds5

About 2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide

2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide (PubChem CID 122319908) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
PubChem CID122319908
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)CC1CCCC1
InChIInChI=1S/C17H27N5O/c1-21(2)16-14(19-15(23)11-13-7-3-4-8-13)12-18-17(20-16)22-9-5-6-10-22/h12-13H,3-11H2,1-2H3,(H,19,23)
InChIKeyBZZKTDWKCQQAOP-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide (CID 122319908) is 2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide is CN(C)c1nc(N2CCCC2)ncc1NC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide?
The InChIKey is BZZKTDWKCQQAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-21(2)16-14(19-15(23)11-13-7-3-4-8-13)12-18-17(20-16)22-9-5-6-10-22/h12-13H,3-11H2,1-2H3,(H,19,23).
What are the key properties of 2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide?
2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide has a molecular weight of 317.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 122319908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).