N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide

C19H25N5O3 — CID 136544131

IUPACN-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
SMILESCN1CCN(C(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c2ccccc2)CC1
InChIInChI=1S/C19H25N5O3/c1-21-9-11-24(12-10-21)16(14-7-5-4-6-8-14)17(25)20-15-13-22(2)19(27)23(3)18(15)26/h4-8,13,16H,9-12H2,1-3H3,(H,20,25)
InChIKeyXZCYLDMFZKRXTL-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.01
Rot. Bonds4

About N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide

N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide (PubChem CID 136544131) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
PubChem CID136544131
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
SMILESCN1CCN(C(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c2ccccc2)CC1
InChIInChI=1S/C19H25N5O3/c1-21-9-11-24(12-10-21)16(14-7-5-4-6-8-14)17(25)20-15-13-22(2)19(27)23(3)18(15)26/h4-8,13,16H,9-12H2,1-3H3,(H,20,25)
InChIKeyXZCYLDMFZKRXTL-UHFFFAOYSA-N
XLogP0.01
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119453034
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 120506442
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896689
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 119458426
(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
CID 66648860
N-(2,3-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 136519756

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide (CID 136544131) is N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide is CN1CCN(C(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c2ccccc2)CC1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The InChIKey is XZCYLDMFZKRXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-21-9-11-24(12-10-21)16(14-7-5-4-6-8-14)17(25)20-15-13-22(2)19(27)23(3)18(15)26/h4-8,13,16H,9-12H2,1-3H3,(H,20,25).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide has a molecular weight of 371.44 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 136544131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).