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

C17H25N7O3 — CID 167997189

IUPAC3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)NC1=O
InChIInChI=1S/C17H25N7O3/c1-21-15(25)12-14(20-17(21)26)23-6-4-22(5-7-23)13-2-3-18-16(19-13)24-8-10-27-11-9-24/h2-3,14H,4-12H2,1H3,(H,20,26)
InChIKeyHLAFPANYJSGFBQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP-0.67
Rot. Bonds3

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

3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione (PubChem CID 167997189) has the molecular formula C17H25N7O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione
PubChem CID167997189
Molecular FormulaC17H25N7O3
Molecular Weight375.43 g/mol
Exact Mass375.20
IUPAC Name3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)NC1=O
InChIInChI=1S/C17H25N7O3/c1-21-15(25)12-14(20-17(21)26)23-6-4-22(5-7-23)13-2-3-18-16(19-13)24-8-10-27-11-9-24/h2-3,14H,4-12H2,1H3,(H,20,26)
InChIKeyHLAFPANYJSGFBQ-UHFFFAOYSA-N
XLogP-0.67
TPSA94.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione (CID 167997189) is 3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione is CN1C(=O)CC(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)NC1=O.
What is the InChIKey of 3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione?
The InChIKey is HLAFPANYJSGFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O3/c1-21-15(25)12-14(20-17(21)26)23-6-4-22(5-7-23)13-2-3-18-16(19-13)24-8-10-27-11-9-24/h2-3,14H,4-12H2,1H3,(H,20,26).
What are the key properties of 3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione?
3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167997189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).