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

C9H14FN5O — CID 80800082

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(N)ncc1F
InChIInChI=1S/C9H14FN5O/c1-3-12-8(16)5(2)14-7-6(10)4-13-9(11)15-7/h4-5H,3H2,1-2H3,(H,12,16)(H3,11,13,14,15)
InChIKeyDMRRMTLUFIXDBO-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.13
Rot. Bonds4

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

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide (PubChem CID 80800082) 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)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
PubChem CID80800082
Molecular FormulaC9H14FN5O
Molecular Weight227.24 g/mol
Exact Mass227.12
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(N)ncc1F
InChIInChI=1S/C9H14FN5O/c1-3-12-8(16)5(2)14-7-6(10)4-13-9(11)15-7/h4-5H,3H2,1-2H3,(H,12,16)(H3,11,13,14,15)
InChIKeyDMRRMTLUFIXDBO-UHFFFAOYSA-N
XLogP0.13
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide (CID 80800082) is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1nc(N)ncc1F.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide?
The InChIKey is DMRRMTLUFIXDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5O/c1-3-12-8(16)5(2)14-7-6(10)4-13-9(11)15-7/h4-5H,3H2,1-2H3,(H,12,16)(H3,11,13,14,15).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide?
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide has a molecular weight of 227.24 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 80800082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).