N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide

C18H24N6O2 — CID 136661986

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)NCCc3nc(N)cc(=O)[nH]3)cc2)CC1
InChIInChI=1S/C18H24N6O2/c1-23-8-10-24(11-9-23)14-4-2-13(3-5-14)18(26)20-7-6-16-21-15(19)12-17(25)22-16/h2-5,12H,6-11H2,1H3,(H,20,26)(H3,19,21,22,25)
InChIKeyKHXJRNWAZDCQEU-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.08
Rot. Bonds5

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 136661986) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID136661986
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)NCCc3nc(N)cc(=O)[nH]3)cc2)CC1
InChIInChI=1S/C18H24N6O2/c1-23-8-10-24(11-9-23)14-4-2-13(3-5-14)18(26)20-7-6-16-21-15(19)12-17(25)22-16/h2-5,12H,6-11H2,1H3,(H,20,26)(H3,19,21,22,25)
InChIKeyKHXJRNWAZDCQEU-UHFFFAOYSA-N
XLogP0.08
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 137021874
4-bromo-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889266
3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889269
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 136861496
3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide
CID 16889710
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584307
N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230260
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-nitrobenzamide
CID 16889287
(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
CID 136861426

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide (CID 136661986) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)NCCc3nc(N)cc(=O)[nH]3)cc2)CC1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is KHXJRNWAZDCQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-23-8-10-24(11-9-23)14-4-2-13(3-5-14)18(26)20-7-6-16-21-15(19)12-17(25)22-16/h2-5,12H,6-11H2,1H3,(H,20,26)(H3,19,21,22,25).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 356.43 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 136661986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).