2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone

C12H19N5O2 — CID 54904291

IUPAC2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCOc1ccnc(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H19N5O2/c1-16(12-14-4-3-10(15-12)19-2)9-11(18)17-7-5-13-6-8-17/h3-4,13H,5-9H2,1-2H3
InChIKeyTWTYOEBYCDYROP-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.65
Rot. Bonds4

About 2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone

2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone (PubChem CID 54904291) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
PubChem CID54904291
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCOc1ccnc(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H19N5O2/c1-16(12-14-4-3-10(15-12)19-2)9-11(18)17-7-5-13-6-8-17/h3-4,13H,5-9H2,1-2H3
InChIKeyTWTYOEBYCDYROP-UHFFFAOYSA-N
XLogP-0.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 106998065
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136977630
3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one
CID 114570905
4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid
CID 43378933
2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 62137503
2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone (CID 54904291) is 2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone is COc1ccnc(N(C)CC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is TWTYOEBYCDYROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16(12-14-4-3-10(15-12)19-2)9-11(18)17-7-5-13-6-8-17/h3-4,13H,5-9H2,1-2H3.
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone?
2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 265.32 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 54904291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).