2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide

C19H24ClN5O2 — CID 135963424

IUPAC2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1cccc(Cl)c1)c1cc(=O)[nH]c(N2CCN(C)CC2)n1
InChIInChI=1S/C19H24ClN5O2/c1-13(21-17(26)11-14-4-3-5-15(20)10-14)16-12-18(27)23-19(22-16)25-8-6-24(2)7-9-25/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,21,26)(H,22,23,27)/t13-/m0/s1
InChIKeyBFDPPBHXQBSLOG-ZDUSSCGKSA-N
MW389.89 g/mol
LogP1.60
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide

2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide (PubChem CID 135963424) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide
PubChem CID135963424
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1cccc(Cl)c1)c1cc(=O)[nH]c(N2CCN(C)CC2)n1
InChIInChI=1S/C19H24ClN5O2/c1-13(21-17(26)11-14-4-3-5-15(20)10-14)16-12-18(27)23-19(22-16)25-8-6-24(2)7-9-25/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,21,26)(H,22,23,27)/t13-/m0/s1
InChIKeyBFDPPBHXQBSLOG-ZDUSSCGKSA-N
XLogP1.60
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
CID 62504759
2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 16674422
2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287
2-[(1R)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]phthalazin-1-one
CID 136820128
N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109006861
2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110668062
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888142
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
1-[(3-chlorophenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 110615230

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide (CID 135963424) is 2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide is C[C@H](NC(=O)Cc1cccc(Cl)c1)c1cc(=O)[nH]c(N2CCN(C)CC2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide?
The InChIKey is BFDPPBHXQBSLOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-13(21-17(26)11-14-4-3-5-15(20)10-14)16-12-18(27)23-19(22-16)25-8-6-24(2)7-9-25/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,21,26)(H,22,23,27)/t13-/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide?
2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide has a molecular weight of 389.89 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 135963424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).