2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide

C9H12ClFN4O — CID 79081174

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1nc(Cl)ncc1F
InChIInChI=1S/C9H12ClFN4O/c1-5(2)15(4-7(12)16)8-6(11)3-13-9(10)14-8/h3,5H,4H2,1-2H3,(H2,12,16)
InChIKeyUOCMAHVYJQPTDK-UHFFFAOYSA-N
MW246.67 g/mol
LogP0.97
Rot. Bonds4

About 2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide

2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide (PubChem CID 79081174) has the molecular formula C9H12ClFN4O and a molecular weight of 246.67 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide
PubChem CID79081174
Molecular FormulaC9H12ClFN4O
Molecular Weight246.67 g/mol
Exact Mass246.07
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1nc(Cl)ncc1F
InChIInChI=1S/C9H12ClFN4O/c1-5(2)15(4-7(12)16)8-6(11)3-13-9(10)14-8/h3,5H,4H2,1-2H3,(H2,12,16)
InChIKeyUOCMAHVYJQPTDK-UHFFFAOYSA-N
XLogP0.97
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide (CID 79081174) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)c1nc(Cl)ncc1F.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide?
The InChIKey is UOCMAHVYJQPTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN4O/c1-5(2)15(4-7(12)16)8-6(11)3-13-9(10)14-8/h3,5H,4H2,1-2H3,(H2,12,16).
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide?
2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide has a molecular weight of 246.67 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoropyrimidin-4-yl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 79081174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).