2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone

C12H19N5O2 — CID 112634766

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCOc1cc(C)nc(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H19N5O2/c1-9-7-10(19-2)16-12(15-9)14-8-11(18)17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyVDOBRQXGHCQYDB-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.36
Rot. Bonds4

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 112634766) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
PubChem CID112634766
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCOc1cc(C)nc(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H19N5O2/c1-9-7-10(19-2)16-12(15-9)14-8-11(18)17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyVDOBRQXGHCQYDB-UHFFFAOYSA-N
XLogP-0.36
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112691011
2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 62958222
4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 61404479
N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107600136
2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride
CID 17221317
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone
CID 115677837
2-chloro-6-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-4-carboxylic acid
CID 61404434
4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489508

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone (CID 112634766) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone is COc1cc(C)nc(NCC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is VDOBRQXGHCQYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9-7-10(19-2)16-12(15-9)14-8-11(18)17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone?
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 265.32 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 112634766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).