3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide

C16H18N6O — CID 146107577

IUPAC3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
InChIInChI=1S/C16H18N6O/c1-11(12-5-3-2-4-6-12)21-13(23)7-8-22-10-20-14-15(17)18-9-19-16(14)22/h2-6,9-11H,7-8H2,1H3,(H,21,23)(H2,17,18,19)/t11-/m0/s1
InChIKeyXLHYPNVVMRBSPK-NSHDSACASA-N
MW310.36 g/mol
LogP1.68
Rot. Bonds5

About 3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide

3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 146107577) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID146107577
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1
InChIInChI=1S/C16H18N6O/c1-11(12-5-3-2-4-6-12)21-13(23)7-8-22-10-20-14-15(17)18-9-19-16(14)22/h2-6,9-11H,7-8H2,1H3,(H,21,23)(H2,17,18,19)/t11-/m0/s1
InChIKeyXLHYPNVVMRBSPK-NSHDSACASA-N
XLogP1.68
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 7425559
N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide
CID 2755806
4-(6-aminopurin-9-yl)-N-methylbutanamide
CID 63891255
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide
CID 18134744
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 23914223
3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 51691496
3-(7-oxo-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 50827199
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
3-(6-aminopurin-9-yl)-N-methyl-N-(4-phenoxyphenyl)propanamide
CID 167981929
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine
CID 10251936
2-acetamido-3-(6-aminopurin-9-yl)propanoic acid
CID 64580913

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide (CID 146107577) is 3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)CCn1cnc2c(N)ncnc21)c1ccccc1.
What is the InChIKey of 3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is XLHYPNVVMRBSPK-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N6O/c1-11(12-5-3-2-4-6-12)21-13(23)7-8-22-10-20-14-15(17)18-9-19-16(14)22/h2-6,9-11H,7-8H2,1H3,(H,21,23)(H2,17,18,19)/t11-/m0/s1.
What are the key properties of 3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide?
3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 310.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopurin-9-yl)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 146107577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).