6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione

C16H25N7O2 — CID 167997093

IUPAC6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(N2CCN(c3ccnc(N(C)C)n3)CC2)N(C)C1=O
InChIInChI=1S/C16H25N7O2/c1-19(2)15-17-6-5-12(18-15)22-7-9-23(10-8-22)13-11-14(24)21(4)16(25)20(13)3/h5-6,13H,7-11H2,1-4H3
InChIKeyOOUOYPIMFMPLES-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.10
Rot. Bonds3

About 6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione

6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 167997093) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione
PubChem CID167997093
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC Name6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(N2CCN(c3ccnc(N(C)C)n3)CC2)N(C)C1=O
InChIInChI=1S/C16H25N7O2/c1-19(2)15-17-6-5-12(18-15)22-7-9-23(10-8-22)13-11-14(24)21(4)16(25)20(13)3/h5-6,13H,7-11H2,1-4H3
InChIKeyOOUOYPIMFMPLES-UHFFFAOYSA-N
XLogP-0.10
TPSA76.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione (CID 167997093) is 6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione is CN1C(=O)CC(N2CCN(c3ccnc(N(C)C)n3)CC2)N(C)C1=O.
What is the InChIKey of 6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is OOUOYPIMFMPLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-19(2)15-17-6-5-12(18-15)22-7-9-23(10-8-22)13-11-14(24)21(4)16(25)20(13)3/h5-6,13H,7-11H2,1-4H3.
What are the key properties of 6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione?
6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167997093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).