1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

C11H19FN4O2 — CID 80811245

IUPAC1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCNc1ncc(F)c(N(C)CC(O)COC)n1
InChIInChI=1S/C11H19FN4O2/c1-4-13-11-14-5-9(12)10(15-11)16(2)6-8(17)7-18-3/h5,8,17H,4,6-7H2,1-3H3,(H,13,14,15)
InChIKeyFYFVJVXLARQCSD-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.49
Rot. Bonds7

About 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 80811245) has the molecular formula C11H19FN4O2 and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
PubChem CID80811245
Molecular FormulaC11H19FN4O2
Molecular Weight258.30 g/mol
Exact Mass258.15
IUPAC Name1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCNc1ncc(F)c(N(C)CC(O)COC)n1
InChIInChI=1S/C11H19FN4O2/c1-4-13-11-14-5-9(12)10(15-11)16(2)6-8(17)7-18-3/h5,8,17H,4,6-7H2,1-3H3,(H,13,14,15)
InChIKeyFYFVJVXLARQCSD-UHFFFAOYSA-N
XLogP0.49
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (CID 80811245) is 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is CCNc1ncc(F)c(N(C)CC(O)COC)n1.
What is the InChIKey of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is FYFVJVXLARQCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O2/c1-4-13-11-14-5-9(12)10(15-11)16(2)6-8(17)7-18-3/h5,8,17H,4,6-7H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 258.30 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80811245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).