[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone

C18H29N5O2 — CID 128995894

IUPAC[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone
SMILESCCC1OCCCC1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C18H29N5O2/c1-4-15-14(6-5-13-25-15)17(24)23-11-9-22(10-12-23)16-7-8-19-18(20-16)21(2)3/h7-8,14-15H,4-6,9-13H2,1-3H3
InChIKeyLWOXZRIEGXLMQG-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.40
Rot. Bonds4

About [4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone

[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone (PubChem CID 128995894) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is [4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone
PubChem CID128995894
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone
SMILESCCC1OCCCC1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C18H29N5O2/c1-4-15-14(6-5-13-25-15)17(24)23-11-9-22(10-12-23)16-7-8-19-18(20-16)21(2)3/h7-8,14-15H,4-6,9-13H2,1-3H3
InChIKeyLWOXZRIEGXLMQG-UHFFFAOYSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
(2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 128995882
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120942147
[4-[2-(dimethylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 75373060
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 154829661
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone
CID 136583909
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 56794216
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methanone
CID 128984589
[(2R,3S)-2-ethyloxan-3-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 129492691

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone?
The IUPAC name of [4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone (CID 128995894) is [4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone is CCC1OCCCC1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1.
What is the InChIKey of [4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone?
The InChIKey is LWOXZRIEGXLMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-15-14(6-5-13-25-15)17(24)23-11-9-22(10-12-23)16-7-8-19-18(20-16)21(2)3/h7-8,14-15H,4-6,9-13H2,1-3H3.
What are the key properties of [4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone?
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone is sourced from PubChem (CID 128995894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).