N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide

C13H21N5O — CID 71807299

IUPACN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C13H21N5O/c1-9-12(16-11(3)19)10(2)15-13(14-9)18-7-5-17(4)6-8-18/h5-8H2,1-4H3,(H,16,19)
InChIKeyUYBAOSGIJGKLIY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.80
Rot. Bonds2

About N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 71807299) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
PubChem CID71807299
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C13H21N5O/c1-9-12(16-11(3)19)10(2)15-13(14-9)18-7-5-17(4)6-8-18/h5-8H2,1-4H3,(H,16,19)
InChIKeyUYBAOSGIJGKLIY-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
(7S)-2-chloro-4,7,8-trimethyl-5,6,7,8-tetrahydropteridin-6-one
CID 146193989
5-((4,6-Dimethylpyrimidin-2-yl)amino)-1-methylpiperidin-2-one
CID 64668602
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperazine-2-carboxamide
CID 110259079
1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
CID 110259080
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-[1-(oxetan-3-yl)piperidin-4-yl]acetamide
CID 156021231
Pteridine, 5-acetyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422332
Pteridine, 8-ethyl-2-ethylamino-7,8-dihydro-4-methyl-7-oxo-
CID 171384108
N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide
CID 31536602
N-(2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl)pivalamide
CID 71807193
N-(4,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl)propionamide
CID 71807233
N-(4,6-dimethyl-2-morpholinopyrimidin-5-yl)-3-methylbutanamide
CID 71807274

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide (CID 71807299) is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide is CC(=O)Nc1c(C)nc(N2CCN(C)CC2)nc1C.
What is the InChIKey of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is UYBAOSGIJGKLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-12(16-11(3)19)10(2)15-13(14-9)18-7-5-17(4)6-8-18/h5-8H2,1-4H3,(H,16,19).
What are the key properties of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 71807299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).