1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione

C18H25N7O3 — CID 155941801

IUPAC1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione
SMILESCn1c(N2CCN(c3nccc(N4CCOCC4)n3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H25N7O3/c1-21-15(13-16(26)22(2)18(21)27)24-5-7-25(8-6-24)17-19-4-3-14(20-17)23-9-11-28-12-10-23/h3-4,13H,5-12H2,1-2H3
InChIKeyCCDFMGGUCMQRJZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP-0.96
Rot. Bonds3

About 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione

1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione (PubChem CID 155941801) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione
PubChem CID155941801
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione
SMILESCn1c(N2CCN(c3nccc(N4CCOCC4)n3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H25N7O3/c1-21-15(13-16(26)22(2)18(21)27)24-5-7-25(8-6-24)17-19-4-3-14(20-17)23-9-11-28-12-10-23/h3-4,13H,5-12H2,1-2H3
InChIKeyCCDFMGGUCMQRJZ-UHFFFAOYSA-N
XLogP-0.96
TPSA88.73 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 122344638
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 70703503
4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 163349088
4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 70703327
3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione
CID 167997189
4-ethyl-1-(2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
CID 136530757
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
CID 112886562

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione (CID 155941801) is 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione is Cn1c(N2CCN(c3nccc(N4CCOCC4)n3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione?
The InChIKey is CCDFMGGUCMQRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-21-15(13-16(26)22(2)18(21)27)24-5-7-25(8-6-24)17-19-4-3-14(20-17)23-9-11-28-12-10-23/h3-4,13H,5-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of -0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[4-(4-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 155941801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).