4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one

C18H27N5O4 — CID 56886566

IUPAC4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCNCC1C(=O)N1CCOCC1
InChIInChI=1S/C18H27N5O4/c1-12-14(13(2)21-18(26)20-12)3-4-16(24)23-6-5-19-11-15(23)17(25)22-7-9-27-10-8-22/h15,19H,3-11H2,1-2H3,(H,20,21,26)
InChIKeyHPQCXVKCOLTFAO-UHFFFAOYSA-N
MW377.45 g/mol
LogP-1.02
Rot. Bonds4

About 4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one

4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one (PubChem CID 56886566) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one
PubChem CID56886566
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCNCC1C(=O)N1CCOCC1
InChIInChI=1S/C18H27N5O4/c1-12-14(13(2)21-18(26)20-12)3-4-16(24)23-6-5-19-11-15(23)17(25)22-7-9-27-10-8-22/h15,19H,3-11H2,1-2H3,(H,20,21,26)
InChIKeyHPQCXVKCOLTFAO-UHFFFAOYSA-N
XLogP-1.02
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one (CID 56886566) is 4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCNCC1C(=O)N1CCOCC1.
What is the InChIKey of 4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one?
The InChIKey is HPQCXVKCOLTFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-12-14(13(2)21-18(26)20-12)3-4-16(24)23-6-5-19-11-15(23)17(25)22-7-9-27-10-8-22/h15,19H,3-11H2,1-2H3,(H,20,21,26).
What are the key properties of 4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one?
4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one has a molecular weight of 377.45 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[3-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-oxopropyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 56886566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).