4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one

C14H22N4O — CID 75379311

IUPAC4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C14H22N4O/c1-5-10-12(19)15-8-9-18(10)11-6-7-16-13(17-11)14(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,19)
InChIKeyQEZJDCHZLCQIGC-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.49
Rot. Bonds2

About 4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one

4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one (PubChem CID 75379311) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one
PubChem CID75379311
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C14H22N4O/c1-5-10-12(19)15-8-9-18(10)11-6-7-16-13(17-11)14(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,19)
InChIKeyQEZJDCHZLCQIGC-UHFFFAOYSA-N
XLogP1.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one (CID 75379311) is 4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1c1ccnc(C(C)(C)C)n1.
What is the InChIKey of 4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one?
The InChIKey is QEZJDCHZLCQIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-10-12(19)15-8-9-18(10)11-6-7-16-13(17-11)14(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,19).
What are the key properties of 4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one?
4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 75379311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).