1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol

C19H32N4O — CID 69340507

IUPAC1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol
SMILESCCC(O)N1CCN(c2cc(C(C)(C)C)nc(C3CCC3)n2)CC1
InChIInChI=1S/C19H32N4O/c1-5-17(24)23-11-9-22(10-12-23)16-13-15(19(2,3)4)20-18(21-16)14-7-6-8-14/h13-14,17,24H,5-12H2,1-4H3
InChIKeyFSKWDSBNAFWYGT-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.89
Rot. Bonds4

About 1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol

1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol (PubChem CID 69340507) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol
PubChem CID69340507
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol
SMILESCCC(O)N1CCN(c2cc(C(C)(C)C)nc(C3CCC3)n2)CC1
InChIInChI=1S/C19H32N4O/c1-5-17(24)23-11-9-22(10-12-23)16-13-15(19(2,3)4)20-18(21-16)14-7-6-8-14/h13-14,17,24H,5-12H2,1-4H3
InChIKeyFSKWDSBNAFWYGT-UHFFFAOYSA-N
XLogP2.89
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol (CID 69340507) is 1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol is CCC(O)N1CCN(c2cc(C(C)(C)C)nc(C3CCC3)n2)CC1.
What is the InChIKey of 1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is FSKWDSBNAFWYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-5-17(24)23-11-9-22(10-12-23)16-13-15(19(2,3)4)20-18(21-16)14-7-6-8-14/h13-14,17,24H,5-12H2,1-4H3.
What are the key properties of 1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol?
1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 332.49 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 69340507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).