1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

C12H21FN4O2 — CID 80811335

IUPAC1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCCNc1ncc(F)c(N(C)CC(O)COC)n1
InChIInChI=1S/C12H21FN4O2/c1-4-5-14-12-15-6-10(13)11(16-12)17(2)7-9(18)8-19-3/h6,9,18H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyGVMABKBQTUGIFP-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.88
Rot. Bonds8

About 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 80811335) has the molecular formula C12H21FN4O2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
PubChem CID80811335
Molecular FormulaC12H21FN4O2
Molecular Weight272.32 g/mol
Exact Mass272.16
IUPAC Name1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCCNc1ncc(F)c(N(C)CC(O)COC)n1
InChIInChI=1S/C12H21FN4O2/c1-4-5-14-12-15-6-10(13)11(16-12)17(2)7-9(18)8-19-3/h6,9,18H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyGVMABKBQTUGIFP-UHFFFAOYSA-N
XLogP0.88
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (CID 80811335) is 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is CCCNc1ncc(F)c(N(C)CC(O)COC)n1.
What is the InChIKey of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is GVMABKBQTUGIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4O2/c1-4-5-14-12-15-6-10(13)11(16-12)17(2)7-9(18)8-19-3/h6,9,18H,4-5,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 272.32 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80811335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).