2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone

C19H27N7O — CID 165015130

IUPAC2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCCN(CC)c1ncc(CC(=O)N2CCN(c3ccc(C)nn3)CC2)cn1
InChIInChI=1S/C19H27N7O/c1-4-24(5-2)19-20-13-16(14-21-19)12-18(27)26-10-8-25(9-11-26)17-7-6-15(3)22-23-17/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeyRVJVNUCSRURBBB-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.31
Rot. Bonds6

About 2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone

2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 165015130) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID165015130
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCCN(CC)c1ncc(CC(=O)N2CCN(c3ccc(C)nn3)CC2)cn1
InChIInChI=1S/C19H27N7O/c1-4-24(5-2)19-20-13-16(14-21-19)12-18(27)26-10-8-25(9-11-26)17-7-6-15(3)22-23-17/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeyRVJVNUCSRURBBB-UHFFFAOYSA-N
XLogP1.31
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 165015130) is 2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone is CCN(CC)c1ncc(CC(=O)N2CCN(c3ccc(C)nn3)CC2)cn1.
What is the InChIKey of 2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is RVJVNUCSRURBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-4-24(5-2)19-20-13-16(14-21-19)12-18(27)26-10-8-25(9-11-26)17-7-6-15(3)22-23-17/h6-7,13-14H,4-5,8-12H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 369.47 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 165015130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).