(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine

C12H21FN4O — CID 164631265

IUPAC(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCOc1nc(NC[C@@H](C(C)C)N(C)C)ncc1F
InChIInChI=1S/C12H21FN4O/c1-8(2)10(17(3)4)7-15-12-14-6-9(13)11(16-12)18-5/h6,8,10H,7H2,1-5H3,(H,14,15,16)/t10-/m0/s1
InChIKeyFENBFGPILVJVIY-JTQLQIEISA-N
MW256.32 g/mol
LogP1.62
Rot. Bonds6

About (2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine

(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 164631265) has the molecular formula C12H21FN4O and a molecular weight of 256.32 g/mol. Its IUPAC name is (2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID164631265
Molecular FormulaC12H21FN4O
Molecular Weight256.32 g/mol
Exact Mass256.17
IUPAC Name(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCOc1nc(NC[C@@H](C(C)C)N(C)C)ncc1F
InChIInChI=1S/C12H21FN4O/c1-8(2)10(17(3)4)7-15-12-14-6-9(13)11(16-12)18-5/h6,8,10H,7H2,1-5H3,(H,14,15,16)/t10-/m0/s1
InChIKeyFENBFGPILVJVIY-JTQLQIEISA-N
XLogP1.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of (2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 164631265) is (2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for (2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine is COc1nc(NC[C@@H](C(C)C)N(C)C)ncc1F.
What is the InChIKey of (2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is FENBFGPILVJVIY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21FN4O/c1-8(2)10(17(3)4)7-15-12-14-6-9(13)11(16-12)18-5/h6,8,10H,7H2,1-5H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of (2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 256.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 164631265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).