N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide

C14H24N4O2 — CID 66329761

IUPACN-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide
SMILESCCCOc1cc(NCCC(=O)NC(C)CC)ncn1
InChIInChI=1S/C14H24N4O2/c1-4-8-20-14-9-12(16-10-17-14)15-7-6-13(19)18-11(3)5-2/h9-11H,4-8H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyTYAAGEIANLCIDG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.98
Rot. Bonds9

About N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide

N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide (PubChem CID 66329761) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide
PubChem CID66329761
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide
SMILESCCCOc1cc(NCCC(=O)NC(C)CC)ncn1
InChIInChI=1S/C14H24N4O2/c1-4-8-20-14-9-12(16-10-17-14)15-7-6-13(19)18-11(3)5-2/h9-11H,4-8H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyTYAAGEIANLCIDG-UHFFFAOYSA-N
XLogP1.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113410765
2-[[(6-propoxypyrimidin-4-yl)amino]methyl]butanoic acid
CID 66331358
N-(5-methylhexyl)-6-propoxypyrimidin-4-amine
CID 115326257
5-[(6-propoxypyrimidin-4-yl)amino]hexanoic acid
CID 82847891
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide
CID 106337569
N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80792142
N-pent-3-ynyl-6-propoxypyrimidin-4-amine
CID 116644597
N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136974382
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66329398
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80954543

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide (CID 66329761) is N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide is CCCOc1cc(NCCC(=O)NC(C)CC)ncn1.
What is the InChIKey of N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide?
The InChIKey is TYAAGEIANLCIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-8-20-14-9-12(16-10-17-14)15-7-6-13(19)18-11(3)5-2/h9-11H,4-8H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide?
N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 66329761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).