N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide

C11H19N5OS — CID 60718365

IUPACN-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
SMILESCCCCNC(=O)C(C)Sc1nc(N)cc(N)n1
InChIInChI=1S/C11H19N5OS/c1-3-4-5-14-10(17)7(2)18-11-15-8(12)6-9(13)16-11/h6-7H,3-5H2,1-2H3,(H,14,17)(H4,12,13,15,16)
InChIKeyWVDUPOFDZZRNSF-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.04
Rot. Bonds6

About N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide

N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide (PubChem CID 60718365) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
PubChem CID60718365
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC NameN-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
SMILESCCCCNC(=O)C(C)Sc1nc(N)cc(N)n1
InChIInChI=1S/C11H19N5OS/c1-3-4-5-14-10(17)7(2)18-11-15-8(12)6-9(13)16-11/h6-7H,3-5H2,1-2H3,(H,14,17)(H4,12,13,15,16)
InChIKeyWVDUPOFDZZRNSF-UHFFFAOYSA-N
XLogP1.04
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
CID 60665444
2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide
CID 63581279
ethyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 60589152
2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide
CID 79527884
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145388
N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62026306
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761
4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid
CID 23886491
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 46402563
(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide
CID 99630869

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide (CID 60718365) is N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide is CCCCNC(=O)C(C)Sc1nc(N)cc(N)n1.
What is the InChIKey of N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is WVDUPOFDZZRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-3-4-5-14-10(17)7(2)18-11-15-8(12)6-9(13)16-11/h6-7H,3-5H2,1-2H3,(H,14,17)(H4,12,13,15,16).
What are the key properties of N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 269.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 60718365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).