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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Related Compounds

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
CID 79081259
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79728652
2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide
CID 102984187
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
CID 113344286
5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine
CID 80832532
5-fluoro-4-N-[1-(furan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780792
2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
CID 60910688
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79535149
N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 80800935
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80800852
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 113293343

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).