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

C20H27N5O — CID 91969320

IUPACN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C20H27N5O/c1-24(2)19-17(15-21-20(23-19)25-13-6-7-14-25)22-18(26)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3,(H,22,26)
InChIKeyJHDLILBJTSJFAK-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.10
Rot. Bonds7

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

N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide (PubChem CID 91969320) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide
PubChem CID91969320
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C20H27N5O/c1-24(2)19-17(15-21-20(23-19)25-13-6-7-14-25)22-18(26)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3,(H,22,26)
InChIKeyJHDLILBJTSJFAK-UHFFFAOYSA-N
XLogP3.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide
CID 122320244
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
CID 122320309
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122320015
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320175
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
1-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 91966423
2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 122319908
1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
CID 71807700
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
CID 122319909
2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
CID 122320170
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 91969330

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide?
The IUPAC name of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide (CID 91969320) is N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide?
The canonical SMILES for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide is CN(C)c1nc(N2CCCC2)ncc1NC(=O)CCCc1ccccc1.
What is the InChIKey of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide?
The InChIKey is JHDLILBJTSJFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-24(2)19-17(15-21-20(23-19)25-13-6-7-14-25)22-18(26)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide?
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide has a molecular weight of 353.47 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide is sourced from PubChem (CID 91969320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).