3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one

C14H23N5O — CID 80957569

IUPAC3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
SMILESCCC1C(=O)NCCN1c1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C14H23N5O/c1-5-10-14(20)16-6-7-19(10)12-8-11(15-4)17-13(18-12)9(2)3/h8-10H,5-7H2,1-4H3,(H,16,20)(H,15,17,18)
InChIKeyDLIVWUGZLHVBAI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.36
Rot. Bonds4

About 3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one

3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one (PubChem CID 80957569) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
PubChem CID80957569
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
SMILESCCC1C(=O)NCCN1c1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C14H23N5O/c1-5-10-14(20)16-6-7-19(10)12-8-11(15-4)17-13(18-12)9(2)3/h8-10H,5-7H2,1-4H3,(H,16,20)(H,15,17,18)
InChIKeyDLIVWUGZLHVBAI-UHFFFAOYSA-N
XLogP1.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80959273
3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
CID 80833683
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586
4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
CID 80833939
3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
CID 133461689
6-(3-ethylmorpholin-4-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80968023
3-ethyl-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-2-one
CID 80834717
7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80958788
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one
CID 80950835
N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80956947
4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
CID 167888729
4-(6-chloro-4-nitro-2-pyridinyl)-3-ethylpiperazin-2-one
CID 114070846

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one (CID 80957569) is 3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one is CCC1C(=O)NCCN1c1cc(NC)nc(C(C)C)n1.
What is the InChIKey of 3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one?
The InChIKey is DLIVWUGZLHVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-10-14(20)16-6-7-19(10)12-8-11(15-4)17-13(18-12)9(2)3/h8-10H,5-7H2,1-4H3,(H,16,20)(H,15,17,18).
What are the key properties of 3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one?
3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80957569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).