[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone

C16H25N5O2 — CID 122351747

IUPAC[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESCCNc1cc(N2CCN(C(=O)C3CCOC3)CC2)nc(C)n1
InChIInChI=1S/C16H25N5O2/c1-3-17-14-10-15(19-12(2)18-14)20-5-7-21(8-6-20)16(22)13-4-9-23-11-13/h10,13H,3-9,11H2,1-2H3,(H,17,18,19)
InChIKeyGIYUGMQVANSCRQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.90
Rot. Bonds4

About [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone

[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 122351747) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
PubChem CID122351747
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESCCNc1cc(N2CCN(C(=O)C3CCOC3)CC2)nc(C)n1
InChIInChI=1S/C16H25N5O2/c1-3-17-14-10-15(19-12(2)18-14)20-5-7-21(8-6-20)16(22)13-4-9-23-11-13/h10,13H,3-9,11H2,1-2H3,(H,17,18,19)
InChIKeyGIYUGMQVANSCRQ-UHFFFAOYSA-N
XLogP0.90
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122351619
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122341099
[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122345153
1-(3-bromophenyl)-4-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122351764
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol
CID 80757736
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 122351609
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 56699266
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122351707
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 81218197
1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 126430096

Frequently Asked Questions

What is the IUPAC name of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone (CID 122351747) is [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone is CCNc1cc(N2CCN(C(=O)C3CCOC3)CC2)nc(C)n1.
What is the InChIKey of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is GIYUGMQVANSCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-17-14-10-15(19-12(2)18-14)20-5-7-21(8-6-20)16(22)13-4-9-23-11-13/h10,13H,3-9,11H2,1-2H3,(H,17,18,19).
What are the key properties of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 122351747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).