2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide

C9H14FN5O — CID 80808590

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1nc(N)ncc1F
InChIInChI=1S/C9H14FN5O/c1-3-15(5-7(16)12-2)8-6(10)4-13-9(11)14-8/h4H,3,5H2,1-2H3,(H,12,16)(H2,11,13,14)
InChIKeyKHCJAEXGXGOPJM-UHFFFAOYSA-N
MW227.24 g/mol
LogP-0.23
Rot. Bonds4

About 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide

2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide (PubChem CID 80808590) has the molecular formula C9H14FN5O and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide
PubChem CID80808590
Molecular FormulaC9H14FN5O
Molecular Weight227.24 g/mol
Exact Mass227.12
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1nc(N)ncc1F
InChIInChI=1S/C9H14FN5O/c1-3-15(5-7(16)12-2)8-6(10)4-13-9(11)14-8/h4H,3,5H2,1-2H3,(H,12,16)(H2,11,13,14)
InChIKeyKHCJAEXGXGOPJM-UHFFFAOYSA-N
XLogP-0.23
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 80806174
4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80809527
2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80820404
2-[(5-amino-3-bromo-2-pyridinyl)-ethylamino]-N-methylacetamide
CID 79531786
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 61359374
2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide
CID 80629627
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid
CID 114034395
2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80652125
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80808876
2-[(6-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80647459
2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide
CID 66079546
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide (CID 80808590) is 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)c1nc(N)ncc1F.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide?
The InChIKey is KHCJAEXGXGOPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5O/c1-3-15(5-7(16)12-2)8-6(10)4-13-9(11)14-8/h4H,3,5H2,1-2H3,(H,12,16)(H2,11,13,14).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide?
2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide has a molecular weight of 227.24 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 80808590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).