1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one

C24H37N5O2 — CID 67242516

IUPAC1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one
SMILESCCCc1cc(N2CCN(CCCCn3ccc(O)cc3=O)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C24H37N5O2/c1-5-8-19-17-21(26-23(25-19)24(2,3)4)28-15-13-27(14-16-28)10-6-7-11-29-12-9-20(30)18-22(29)31/h9,12,17-18,30H,5-8,10-11,13-16H2,1-4H3
InChIKeyOVODNMBJYKXOCN-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.20
Rot. Bonds8

About 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one

1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one (PubChem CID 67242516) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one
PubChem CID67242516
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one
SMILESCCCc1cc(N2CCN(CCCCn3ccc(O)cc3=O)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C24H37N5O2/c1-5-8-19-17-21(26-23(25-19)24(2,3)4)28-15-13-27(14-16-28)10-6-7-11-29-12-9-20(30)18-22(29)31/h9,12,17-18,30H,5-8,10-11,13-16H2,1-4H3
InChIKeyOVODNMBJYKXOCN-UHFFFAOYSA-N
XLogP3.20
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enedioic acid;bis(1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-(3-fluorophenyl)pyrimidin-2-one)
CID 173066727
(E)-but-2-enedioic acid;bis(1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-5-ethylpyrimidine-2,4-dione)
CID 173067012
but-2-enedioic acid;bis(1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-5-ethylpyrimidine-2,4-dione)
CID 173067014
1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]pentyl]pyrimidine-2,4-dione
CID 67375340
2-tert-butyl-4-[4-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfinyl]propyl]piperazin-1-yl]-6-propylpyrimidine;hydrochloride
CID 66673996
but-2-enedioic acid;2-tert-butyl-4-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]-6-propylpyrimidine
CID 66673891
but-2-enedioic acid;bis(1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-4-ethylpyrimidin-2-one)
CID 173066997
4-O-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)-1-[4-[4-(2-methylphenyl)-2-oxopyrimidin-1-yl]butyl]piperazin-1-ium-1-yl] 1-O-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)-1-[4-[4-(4-methylphenyl)-2-oxopyrimidin-1-yl]butyl]piperazin-1-ium-1-yl] (E)-but-2-enedioate
CID 87375987
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 84589613
2-tert-butyl-4-[4-(3-chloropropyl)piperazin-1-yl]-6-methylpyrimidine
CID 22349874
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089
3-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propyl acetate
CID 69025431

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one (CID 67242516) is 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one is CCCc1cc(N2CCN(CCCCn3ccc(O)cc3=O)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one?
The InChIKey is OVODNMBJYKXOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-5-8-19-17-21(26-23(25-19)24(2,3)4)28-15-13-27(14-16-28)10-6-7-11-29-12-9-20(30)18-22(29)31/h9,12,17-18,30H,5-8,10-11,13-16H2,1-4H3.
What are the key properties of 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one?
1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one has a molecular weight of 427.59 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 67242516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).