3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide

C13H22FN5O — CID 80818525

IUPAC3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(NCCC)ncc1F
InChIInChI=1S/C13H22FN5O/c1-3-6-15-11(20)5-8-16-12-10(14)9-18-13(19-12)17-7-4-2/h9H,3-8H2,1-2H3,(H,15,20)(H2,16,17,18,19)
InChIKeyBLDPBIAKBZPXLV-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.77
Rot. Bonds9

About 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide

3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (PubChem CID 80818525) has the molecular formula C13H22FN5O and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
PubChem CID80818525
Molecular FormulaC13H22FN5O
Molecular Weight283.35 g/mol
Exact Mass283.18
IUPAC Name3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(NCCC)ncc1F
InChIInChI=1S/C13H22FN5O/c1-3-6-15-11(20)5-8-16-12-10(14)9-18-13(19-12)17-7-4-2/h9H,3-8H2,1-2H3,(H,15,20)(H2,16,17,18,19)
InChIKeyBLDPBIAKBZPXLV-UHFFFAOYSA-N
XLogP1.77
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819584
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80842696
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434
4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819043
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114154605
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (CID 80818525) is 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(NCCC)ncc1F.
What is the InChIKey of 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The InChIKey is BLDPBIAKBZPXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN5O/c1-3-6-15-11(20)5-8-16-12-10(14)9-18-13(19-12)17-7-4-2/h9H,3-8H2,1-2H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide has a molecular weight of 283.35 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 80818525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).