4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C16H25N5O3 — CID 135719715

IUPAC4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(CC(=O)N3CCOCC3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C16H25N5O3/c1-12-13(2)17-16(18-15(12)23)21-5-3-19(4-6-21)11-14(22)20-7-9-24-10-8-20/h3-11H2,1-2H3,(H,17,18,23)
InChIKeyOYTORBWFJRQVMA-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.63
Rot. Bonds3

About 4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135719715) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135719715
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(CC(=O)N3CCOCC3)CC2)[nH]c(=O)c1C
InChIInChI=1S/C16H25N5O3/c1-12-13(2)17-16(18-15(12)23)21-5-3-19(4-6-21)11-14(22)20-7-9-24-10-8-20/h3-11H2,1-2H3,(H,17,18,23)
InChIKeyOYTORBWFJRQVMA-UHFFFAOYSA-N
XLogP-0.63
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135719715) is 4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCN(CC(=O)N3CCOCC3)CC2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is OYTORBWFJRQVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-12-13(2)17-16(18-15(12)23)21-5-3-19(4-6-21)11-14(22)20-7-9-24-10-8-20/h3-11H2,1-2H3,(H,17,18,23).
What are the key properties of 4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 335.41 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135719715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).