4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide

C11H16FN5O2 — CID 72896668

IUPAC4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide
SMILESCN(C)c1nc(N2CCOC(C(N)=O)C2)ncc1F
InChIInChI=1S/C11H16FN5O2/c1-16(2)10-7(12)5-14-11(15-10)17-3-4-19-8(6-17)9(13)18/h5,8H,3-4,6H2,1-2H3,(H2,13,18)
InChIKeyLQKVWYLDSMVSDB-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.63
Rot. Bonds3

About 4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide

4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide (PubChem CID 72896668) has the molecular formula C11H16FN5O2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide
PubChem CID72896668
Molecular FormulaC11H16FN5O2
Molecular Weight269.28 g/mol
Exact Mass269.13
IUPAC Name4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide
SMILESCN(C)c1nc(N2CCOC(C(N)=O)C2)ncc1F
InChIInChI=1S/C11H16FN5O2/c1-16(2)10-7(12)5-14-11(15-10)17-3-4-19-8(6-17)9(13)18/h5,8H,3-4,6H2,1-2H3,(H2,13,18)
InChIKeyLQKVWYLDSMVSDB-UHFFFAOYSA-N
XLogP-0.63
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide (CID 72896668) is 4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide is CN(C)c1nc(N2CCOC(C(N)=O)C2)ncc1F.
What is the InChIKey of 4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide?
The InChIKey is LQKVWYLDSMVSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O2/c1-16(2)10-7(12)5-14-11(15-10)17-3-4-19-8(6-17)9(13)18/h5,8H,3-4,6H2,1-2H3,(H2,13,18).
What are the key properties of 4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide?
4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide has a molecular weight of 269.28 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 72896668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).