1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol

C14H23FN4O — CID 103880054

IUPAC1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCCc1ncnc(N2CCN(CC(C)(C)O)CC2)c1F
InChIInChI=1S/C14H23FN4O/c1-4-11-12(15)13(17-10-16-11)19-7-5-18(6-8-19)9-14(2,3)20/h10,20H,4-9H2,1-3H3
InChIKeyNOHAKIRDXGFYGE-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.07
Rot. Bonds4

About 1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol

1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 103880054) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID103880054
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCCc1ncnc(N2CCN(CC(C)(C)O)CC2)c1F
InChIInChI=1S/C14H23FN4O/c1-4-11-12(15)13(17-10-16-11)19-7-5-18(6-8-19)9-14(2,3)20/h10,20H,4-9H2,1-3H3
InChIKeyNOHAKIRDXGFYGE-UHFFFAOYSA-N
XLogP1.07
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol (CID 103880054) is 1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol is CCc1ncnc(N2CCN(CC(C)(C)O)CC2)c1F.
What is the InChIKey of 1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is NOHAKIRDXGFYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-4-11-12(15)13(17-10-16-11)19-7-5-18(6-8-19)9-14(2,3)20/h10,20H,4-9H2,1-3H3.
What are the key properties of 1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 282.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 103880054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).