1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol

C18H32N4O2 — CID 133401089

IUPAC1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCOCc1cc(N2CCN(CC(C)(C)O)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H32N4O2/c1-17(2,3)16-19-14(12-24-6)11-15(20-16)22-9-7-21(8-10-22)13-18(4,5)23/h11,23H,7-10,12-13H2,1-6H3
InChIKeyJMMABWUKSGJAKP-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.81
Rot. Bonds5

About 1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol

1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 133401089) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID133401089
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCOCc1cc(N2CCN(CC(C)(C)O)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H32N4O2/c1-17(2,3)16-19-14(12-24-6)11-15(20-16)22-9-7-21(8-10-22)13-18(4,5)23/h11,23H,7-10,12-13H2,1-6H3
InChIKeyJMMABWUKSGJAKP-UHFFFAOYSA-N
XLogP1.81
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol (CID 133401089) is 1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol is COCc1cc(N2CCN(CC(C)(C)O)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is JMMABWUKSGJAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-17(2,3)16-19-14(12-24-6)11-15(20-16)22-9-7-21(8-10-22)13-18(4,5)23/h11,23H,7-10,12-13H2,1-6H3.
What are the key properties of 1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 336.48 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 133401089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).