1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

C10H17FN4O — CID 80848231

IUPAC1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(N)ncc1F
InChIInChI=1S/C10H17FN4O/c1-4-15(6-10(2,3)16)8-7(11)5-13-9(12)14-8/h5,16H,4,6H2,1-3H3,(H2,12,13,14)
InChIKeyMZHDNGUWAQLCDN-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.80
Rot. Bonds4

About 1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 80848231) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID80848231
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(N)ncc1F
InChIInChI=1S/C10H17FN4O/c1-4-15(6-10(2,3)16)8-7(11)5-13-9(12)14-8/h5,16H,4,6H2,1-3H3,(H2,12,13,14)
InChIKeyMZHDNGUWAQLCDN-UHFFFAOYSA-N
XLogP0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (CID 80848231) is 1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(N)ncc1F.
What is the InChIKey of 1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is MZHDNGUWAQLCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-4-15(6-10(2,3)16)8-7(11)5-13-9(12)14-8/h5,16H,4,6H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 228.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80848231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).