4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C15H26N4O — CID 137009379

IUPAC4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C(C)(C)C)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O/c1-11(2)14-16-12(10-13(20)17-14)18-6-8-19(9-7-18)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,20)
InChIKeySRDOWEXTIXVGDC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.81
Rot. Bonds2

About 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137009379) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137009379
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C(C)(C)C)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O/c1-11(2)14-16-12(10-13(20)17-14)18-6-8-19(9-7-18)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,20)
InChIKeySRDOWEXTIXVGDC-UHFFFAOYSA-N
XLogP1.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 137009379) is 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCN(C(C)(C)C)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SRDOWEXTIXVGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)14-16-12(10-13(20)17-14)18-6-8-19(9-7-18)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,20).
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137009379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).