N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide

C12H20FN5O — CID 80819434

IUPACN-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nc(NC)ncc1F
InChIInChI=1S/C12H20FN5O/c1-4-8(2)17-10(19)5-6-15-11-9(13)7-16-12(14-3)18-11/h7-8H,4-6H2,1-3H3,(H,17,19)(H2,14,15,16,18)
InChIKeyDGGUKHDNNLTPSW-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.37
Rot. Bonds7

About N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide

N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80819434) has the molecular formula C12H20FN5O and a molecular weight of 269.32 g/mol. Its IUPAC name is N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80819434
Molecular FormulaC12H20FN5O
Molecular Weight269.32 g/mol
Exact Mass269.17
IUPAC NameN-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nc(NC)ncc1F
InChIInChI=1S/C12H20FN5O/c1-4-8(2)17-10(19)5-6-15-11-9(13)7-16-12(14-3)18-11/h7-8H,4-6H2,1-3H3,(H,17,19)(H2,14,15,16,18)
InChIKeyDGGUKHDNNLTPSW-UHFFFAOYSA-N
XLogP1.37
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62735284
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-N-butan-2-ylpropanamide
CID 80819829
3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
CID 63872452
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80818525
N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 113423927
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80792142
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770323
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80819921

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide (CID 80819434) is N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide is CCC(C)NC(=O)CCNc1nc(NC)ncc1F.
What is the InChIKey of N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is DGGUKHDNNLTPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5O/c1-4-8(2)17-10(19)5-6-15-11-9(13)7-16-12(14-3)18-11/h7-8H,4-6H2,1-3H3,(H,17,19)(H2,14,15,16,18).
What are the key properties of N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 269.32 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80819434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).