3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide

C11H18FN5O — CID 72872234

IUPAC3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncc(F)c(N(C)C)n1
InChIInChI=1S/C11H18FN5O/c1-13-9(18)5-6-17(4)11-14-7-8(12)10(15-11)16(2)3/h7H,5-6H2,1-4H3,(H,13,18)
InChIKeyORCNEGKTOKIZBB-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.25
Rot. Bonds5

About 3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide

3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide (PubChem CID 72872234) has the molecular formula C11H18FN5O and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide
PubChem CID72872234
Molecular FormulaC11H18FN5O
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncc(F)c(N(C)C)n1
InChIInChI=1S/C11H18FN5O/c1-13-9(18)5-6-17(4)11-14-7-8(12)10(15-11)16(2)3/h7H,5-6H2,1-4H3,(H,13,18)
InChIKeyORCNEGKTOKIZBB-UHFFFAOYSA-N
XLogP0.25
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide (CID 72872234) is 3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ncc(F)c(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide?
The InChIKey is ORCNEGKTOKIZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5O/c1-13-9(18)5-6-17(4)11-14-7-8(12)10(15-11)16(2)3/h7H,5-6H2,1-4H3,(H,13,18).
What are the key properties of 3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide?
3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide has a molecular weight of 255.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 72872234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).