(4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one

C15H25N5OS — CID 97198180

IUPAC(4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one
SMILESCCCCSc1nc(N)cc(N(C)C[C@H]2CC(=O)N(C)C2)n1
InChIInChI=1S/C15H25N5OS/c1-4-5-6-22-15-17-12(16)8-13(18-15)19(2)9-11-7-14(21)20(3)10-11/h8,11H,4-7,9-10H2,1-3H3,(H2,16,17,18)/t11-/m1/s1
InChIKeyJIXSDVNQTSFKJE-LLVKDONJSA-N
MW323.47 g/mol
LogP1.87
Rot. Bonds7

About (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one

(4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one (PubChem CID 97198180) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one
PubChem CID97198180
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name(4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one
SMILESCCCCSc1nc(N)cc(N(C)C[C@H]2CC(=O)N(C)C2)n1
InChIInChI=1S/C15H25N5OS/c1-4-5-6-22-15-17-12(16)8-13(18-15)19(2)9-11-7-14(21)20(3)10-11/h8,11H,4-7,9-10H2,1-3H3,(H2,16,17,18)/t11-/m1/s1
InChIKeyJIXSDVNQTSFKJE-LLVKDONJSA-N
XLogP1.87
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-3-(6-amino-2-butylsulfanylpyrimidin-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133130079
2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine
CID 72911046
2-(6-amino-2-butylsulfanylpyrimidin-4-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 72875699
2-[1-(6-amino-2-butylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide
CID 72934449
5-[4-(6-amino-2-butylsulfanylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 72913791
2-butylsulfanyl-6-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
CID 72881753
6-[3-(aminomethyl)pyrrolidin-1-yl]-2-butylsulfanylpyrimidin-4-amine
CID 72908836
4-[[(6-aminopyrazin-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 146039012
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80828094
4-dodecyl-1-methylpyrrolidin-2-one
CID 175232910
2-[4-(6-amino-2-butylsulfanylpyrimidin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 72916955
3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80949667

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one (CID 97198180) is (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one is CCCCSc1nc(N)cc(N(C)C[C@H]2CC(=O)N(C)C2)n1.
What is the InChIKey of (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is JIXSDVNQTSFKJE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-4-5-6-22-15-17-12(16)8-13(18-15)19(2)9-11-7-14(21)20(3)10-11/h8,11H,4-7,9-10H2,1-3H3,(H2,16,17,18)/t11-/m1/s1.
What are the key properties of (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one?
(4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 323.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 97198180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).