5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one

C12H19N5O3 — CID 136977630

IUPAC5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CC(=O)N2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C12H19N5O3/c1-16(7-9(18)17-5-3-13-4-6-17)11-10(20-2)12(19)15-8-14-11/h8,13H,3-7H2,1-2H3,(H,14,15,19)
InChIKeyWNULIHWBVAXPNS-UHFFFAOYSA-N
MW281.32 g/mol
LogP-1.35
Rot. Bonds4

About 5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136977630) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136977630
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CC(=O)N2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C12H19N5O3/c1-16(7-9(18)17-5-3-13-4-6-17)11-10(20-2)12(19)15-8-14-11/h8,13H,3-7H2,1-2H3,(H,14,15,19)
InChIKeyWNULIHWBVAXPNS-UHFFFAOYSA-N
XLogP-1.35
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009263
3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one
CID 114570905
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetamide
CID 137009327
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 136989946
2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 54904291
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(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009559
5-methoxy-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 136990031
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone
CID 61017532

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one (CID 136977630) is 5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one is COc1c(N(C)CC(=O)N2CCNCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is WNULIHWBVAXPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-16(7-9(18)17-5-3-13-4-6-17)11-10(20-2)12(19)15-8-14-11/h8,13H,3-7H2,1-2H3,(H,14,15,19).
What are the key properties of 5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 281.32 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).