2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C18H30N6O — CID 154829661

IUPAC2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCN(c3ccnc(N(C)C)n3)CC2)CC1
InChIInChI=1S/C18H30N6O/c1-15-5-8-24(9-6-15)17(25)14-22-10-12-23(13-11-22)16-4-7-19-18(20-16)21(2)3/h4,7,15H,5-6,8-14H2,1-3H3
InChIKeyDGUCQVOQCSYDCT-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.92
Rot. Bonds4

About 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 154829661) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID154829661
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCN(c3ccnc(N(C)C)n3)CC2)CC1
InChIInChI=1S/C18H30N6O/c1-15-5-8-24(9-6-15)17(25)14-22-10-12-23(13-11-22)16-4-7-19-18(20-16)21(2)3/h4,7,15H,5-6,8-14H2,1-3H3
InChIKeyDGUCQVOQCSYDCT-UHFFFAOYSA-N
XLogP0.92
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77053306
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 56794216
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64829856
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
CID 111442513
2-[(3S)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 92615344
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid
CID 64830048
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
CID 52515429
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol
CID 75470946

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 154829661) is 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN2CCN(c3ccnc(N(C)C)n3)CC2)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is DGUCQVOQCSYDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-15-5-8-24(9-6-15)17(25)14-22-10-12-23(13-11-22)16-4-7-19-18(20-16)21(2)3/h4,7,15H,5-6,8-14H2,1-3H3.
What are the key properties of 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 346.48 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 154829661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).