3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide

C13H24N6O — CID 80819032

IUPAC3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cc(NCCC)nc(N)n1
InChIInChI=1S/C13H24N6O/c1-3-6-15-10-9-11(19-13(14)18-10)16-8-5-12(20)17-7-4-2/h9H,3-8H2,1-2H3,(H,17,20)(H4,14,15,16,18,19)
InChIKeyILYVRUBNFQXOQE-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.21
Rot. Bonds9

About 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide

3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (PubChem CID 80819032) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
PubChem CID80819032
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cc(NCCC)nc(N)n1
InChIInChI=1S/C13H24N6O/c1-3-6-15-10-9-11(19-13(14)18-10)16-8-5-12(20)17-7-4-2/h9H,3-8H2,1-2H3,(H,17,20)(H4,14,15,16,18,19)
InChIKeyILYVRUBNFQXOQE-UHFFFAOYSA-N
XLogP1.21
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80954256
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
N-propyl-3-[[6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819033
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]butanoic acid
CID 122058445
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
N-propyl-2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80942500
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (CID 80819032) is 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is CCCNC(=O)CCNc1cc(NCCC)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The InChIKey is ILYVRUBNFQXOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-3-6-15-10-9-11(19-13(14)18-10)16-8-5-12(20)17-7-4-2/h9H,3-8H2,1-2H3,(H,17,20)(H4,14,15,16,18,19).
What are the key properties of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide has a molecular weight of 280.38 g/mol, XLogP of 1.21, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 80819032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).