(2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide

C10H15FN4O — CID 164629261

IUPAC(2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)CN(C)c1ncc(F)cn1
InChIInChI=1S/C10H15FN4O/c1-7(9(16)12-2)6-15(3)10-13-4-8(11)5-14-10/h4-5,7H,6H2,1-3H3,(H,12,16)/t7-/m0/s1
InChIKeyYISDFWDDRAMQDS-ZETCQYMHSA-N
MW226.25 g/mol
LogP0.43
Rot. Bonds4

About (2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide

(2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 164629261) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID164629261
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name(2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)CN(C)c1ncc(F)cn1
InChIInChI=1S/C10H15FN4O/c1-7(9(16)12-2)6-15(3)10-13-4-8(11)5-14-10/h4-5,7H,6H2,1-3H3,(H,12,16)/t7-/m0/s1
InChIKeyYISDFWDDRAMQDS-ZETCQYMHSA-N
XLogP0.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide (CID 164629261) is (2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)[C@@H](C)CN(C)c1ncc(F)cn1.
What is the InChIKey of (2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is YISDFWDDRAMQDS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-7(9(16)12-2)6-15(3)10-13-4-8(11)5-14-10/h4-5,7H,6H2,1-3H3,(H,12,16)/t7-/m0/s1.
What are the key properties of (2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide?
(2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 226.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 164629261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).